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Structure

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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