CAS
93939-81-2 Purity
96%
93939-81-2 Purity
96%
![Nonasodium pentahydrogen[[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate](https://resource.alfa-chemistry.com/structure/93939-88-9.gif)
![Phosphonicacid,[[(phosphonomethyl)imino]bis[2,1-ethanediyl[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,tridecasodium salt(9ci)](https://resource.alfa-chemistry.com/structure/93939-89-0.gif)
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trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene
CAS
93939-85-6
Catalog Number
ACM93939856
Category
Other Products
Molecular Weight
204.351060 [g/mol]
Molecular Formula
C15H24
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Specification
Synonyms
EINECS 300-375-3, trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene, 93939-85-6
IUPAC Name
(1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,3,5,6,8-hexahydronaphthalene
Canonical SMILES
CC1CCC=C2C1(CC(=C(C)C)CC2)C
InChI Key
USADAYYQBBHRCI-DOMZBBRYSA-N
EC Number
300-375-3
Exact Mass
204.18800
H-Bond Acceptor
0
H-Bond Donor
0
What is the molecular formula of trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene?
The molecular formula is C15H24.
When was PubChem CID 21117834 created and last modified?
It was created on December 5, 2007, and last modified on December 30, 2023.
What is the IUPAC name of trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene?
The IUPAC name is (1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,3,5,6,8-hexahydronaphthalene.
What is the InChIKey of trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene?
The InChIKey is USADAYYQBBHRCI-DOMZBBRYSA-N.
How many hydrogen bond donor counts does trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene have?
It has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene?
The XLogP3-AA value is 4.5.
What is the exact mass of trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene?
The exact mass is 204.187800766 g/mol.
How many defined atom stereocenter counts does trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene have?
It has 2 defined atom stereocenter counts.
What is the topological polar surface area of trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene?
The topological polar surface area is 0-2.
Is trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene a canonicalized compound?
Yes, it is a canonicalized compound.
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