CAS
93840-08-5 Purity
96%
93840-08-5 Purity
96%
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Methyl octahydro-8,8-dimethyl-1-naphthoate
CAS
93840-18-7
Catalog Number
ACM93840187
Category
Other Products
Molecular Weight
223.33122
Molecular Formula
C14H22O2
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Specification
Synonyms
EINECS 298-889-5, Methyl octahydro-8,8-dimethyl-1-naphthoate, 93840-18-7
IUPAC Name
methyl 8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene-1-carboxylate
Canonical SMILES
CC1(CCCC2C1C(CCC2)C(=O)OC)C
InChI Key
JSYFMVAMGWUGNH-UHFFFAOYSA-N
EC Number
298-889-5
Exact Mass
224.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Methyl octahydro-8,8-dimethyl-1-naphthoate?
The molecular formula is C14H24O2.
When was Methyl octahydro-8,8-dimethyl-1-naphthoate created in PubChem?
It was created on December 10, 2008.
What is the molecular weight of Methyl octahydro-8,8-dimethyl-1-naphthoate?
The molecular weight is 224.34 g/mol.
What is the InChIKey of Methyl octahydro-8,8-dimethyl-1-naphthoate?
The InChIKey is JSYFMVAMGWUGNH-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Methyl octahydro-8,8-dimethyl-1-naphthoate have?
It has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of Methyl octahydro-8,8-dimethyl-1-naphthoate?
The topological polar surface area is 26.3 Ų.
Is Methyl octahydro-8,8-dimethyl-1-naphthoate a canonicalized compound?
Yes, it is canonicalized.
What is the XLogP3-AA value of Methyl octahydro-8,8-dimethyl-1-naphthoate?
The XLogP3-AA value is 4.4.
How many rotatable bond counts does Methyl octahydro-8,8-dimethyl-1-naphthoate have?
It has 2 rotatable bond counts.
What is the formal charge of Methyl octahydro-8,8-dimethyl-1-naphthoate?
The formal charge is 0.
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