CAS
94086-97-2 Purity
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94086-97-2 Purity
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![Dinaphtho[2,3-a:2',3'-i]naphth[2',3':6,7]indolo[2,3-c]carbazole-5,10,15,17,22,24-hexol,16,23-dihydro-,5,10,15,17,22,24-hexakis(hydrogen sulfate)](https://resource.alfa-chemistry.com/structure/94086-99-4.gif)
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Dodecahydro-4,4,5a-trimethylbenzo[3,4]cyclobuta[1,2-b]oxepin
CAS
94087-07-7
Catalog Number
ACM94087077
Category
Other Products
Molecular Weight
222.36634;g/mol
Molecular Formula
C15H26O
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Specification
Synonyms
Dodecahydro-4,4,5a-trimethylbenzo(3,4)cyclobuta(1,2-b)oxepin;
IUPAC Name
EINECS 301-899-5
Canonical SMILES
CC1(CCOC2C3CCCCC3C2(C1)C)C
InChI Key
FBVVORSCLMYLCQ-UHFFFAOYSA-N
Boiling Point
267.5ºC at 760mmHg
Flash Point
99.8ºC
Density
0.938g/cm³
EC Number
301-899-5
Exact Mass
222.19800
What is the molecular formula of Dodecahydro-4,4,5a-trimethylbenzo[3,4]cyclobuta[1,2-b]oxepin?
The molecular formula is C15H26O.
When was the structure of Dodecahydro-4,4,5a-trimethylbenzo[3,4]cyclobuta[1,2-b]oxepin created?
The structure was created on 2009-08-20.
What is the IUPAC Name of Dodecahydro-4,4,5a-trimethylbenzo[3,4]cyclobuta[1,2-b]oxepin?
The IUPAC Name is 1,12,12-trimethyl-9-oxatricyclo[6.5.0.0 2,7 ]tridecane.
What is the Canonical SMILES of Dodecahydro-4,4,5a-trimethylbenzo[3,4]cyclobuta[1,2-b]oxepin?
The Canonical SMILES is CC1(CCOC2C3CCCCC3C2(C1)C).
What is the molecular weight of Dodecahydro-4,4,5a-trimethylbenzo[3,4]cyclobuta[1,2-b]oxepin?
The molecular weight is 222.37 g/mol.
What is the InChIKey of Dodecahydro-4,4,5a-trimethylbenzo[3,4]cyclobuta[1,2-b]oxepin?
The InChIKey is FBVVORSCLMYLCQ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Dodecahydro-4,4,5a-trimethylbenzo[3,4]cyclobuta[1,2-b]oxepin have?
It has 0 hydrogen bond donor count.
What is the XLogP3-AA value of Dodecahydro-4,4,5a-trimethylbenzo[3,4]cyclobuta[1,2-b]oxepin?
The XLogP3-AA value is 4.5.
How many rotatable bond counts does Dodecahydro-4,4,5a-trimethylbenzo[3,4]cyclobuta[1,2-b]oxepin have?
It has 0 rotatable bond count.
Is Dodecahydro-4,4,5a-trimethylbenzo[3,4]cyclobuta[1,2-b]oxepin considered as a canonicalized compound?
Yes, Dodecahydro-4,4,5a-trimethylbenzo[3,4]cyclobuta[1,2-b]oxepin is considered as a canonicalized compound.
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CAS
94087-05-5 Purity
96%
94087-05-5 Purity
96%
