2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene

C22H28O2 — CID 174902232

IUPAC2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene
SMILESCC1(C)CCCC(C2CC2C(=O)O)C1.c1ccc2ccccc2c1
InChIInChI=1S/C12H20O2.C10H8/c1-12(2)5-3-4-8(7-12)9-6-10(9)11(13)14;1-2-6-10-8-4-3-7-9(10)5-1/h8-10H,3-7H2,1-2H3,(H,13,14);1-8H
InChIKeyQZGPUDLCRLMGSD-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.76
Rot. Bonds2

About 2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene

2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene (PubChem CID 174902232) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is 2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene.

Molecular Properties

Compound Name2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene
PubChem CID174902232
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene
SMILESCC1(C)CCCC(C2CC2C(=O)O)C1.c1ccc2ccccc2c1
InChIInChI=1S/C12H20O2.C10H8/c1-12(2)5-3-4-8(7-12)9-6-10(9)11(13)14;1-2-6-10-8-4-3-7-9(10)5-1/h8-10H,3-7H2,1-2H3,(H,13,14);1-8H
InChIKeyQZGPUDLCRLMGSD-UHFFFAOYSA-N
XLogP5.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene?
The IUPAC name of 2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene (CID 174902232) is 2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene.
What is the SMILES notation for 2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene?
The canonical SMILES for 2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene is CC1(C)CCCC(C2CC2C(=O)O)C1.c1ccc2ccccc2c1.
What is the InChIKey of 2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene?
The InChIKey is QZGPUDLCRLMGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2.C10H8/c1-12(2)5-3-4-8(7-12)9-6-10(9)11(13)14;1-2-6-10-8-4-3-7-9(10)5-1/h8-10H,3-7H2,1-2H3,(H,13,14);1-8H.
What are the key properties of 2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene?
2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene has a molecular weight of 324.46 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene is sourced from PubChem (CID 174902232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).