CAS
93840-05-2 Purity
96%
93840-05-2 Purity
96%
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Methyl octahydro-5,5-dimethyl-2-naphthoate
CAS
93840-16-5
Catalog Number
ACM93840165
Category
Other Products
Molecular Weight
222.323280 [g/mol]
Molecular Formula
C14H22O2
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Specification
Synonyms
EINECS 298-887-4, Methyl octahydro-5,5-dimethyl-2-naphthoate, 93840-16-5
IUPAC Name
methyl 5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalene-2-carboxylate
InChI Key
BBLPOKYPRGVQJI-UHFFFAOYSA-N
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Methyl octahydro-5,5-dimethyl-2-naphthoate?
Molecular formula: C14H22O2
What is the molecular weight of Methyl octahydro-5,5-dimethyl-2-naphthoate?
Molecular weight: 222.32 g/mol
What is the IUPAC name of Methyl octahydro-5,5-dimethyl-2-naphthoate?
IUPAC name: methyl 5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalene-2-carboxylate
What is the Canonical SMILES representation of Methyl octahydro-5,5-dimethyl-2-naphthoate?
Canonical SMILES: CC1(CCC=C2C1CCC(C2)C(=O)OC)
What is the InChIKey of Methyl octahydro-5,5-dimethyl-2-naphthoate?
InChIKey: BBLPOKYPRGVQJI-UHFFFAOYSA-N
What is the CAS number of Methyl octahydro-5,5-dimethyl-2-naphthoate?
CAS number: 93840-16-5
How many hydrogen bond acceptors does Methyl octahydro-5,5-dimethyl-2-naphthoate have?
Hydrogen bond acceptor count: 2
What is the topological polar surface area of Methyl octahydro-5,5-dimethyl-2-naphthoate?
Topological polar surface area: 26.3 Ų
Is Methyl octahydro-5,5-dimethyl-2-naphthoate a canonicalized compound?
Yes, Methyl octahydro-5,5-dimethyl-2-naphthoate is canonicalized.
What is the complexity value of Methyl octahydro-5,5-dimethyl-2-naphthoate?
Complexity value: 315
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