4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid

C16H28O2 — CID 81020677

IUPAC4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCC1CCCC(C2CC(C)(C)CCC2C(=O)O)C1
InChIInChI=1S/C16H28O2/c1-11-5-4-6-12(9-11)14-10-16(2,3)8-7-13(14)15(17)18/h11-14H,4-10H2,1-3H3,(H,17,18)
InChIKeySBGXSFJOZBIXLS-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.34
Rot. Bonds2

About 4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid

4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid (PubChem CID 81020677) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
PubChem CID81020677
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCC1CCCC(C2CC(C)(C)CCC2C(=O)O)C1
InChIInChI=1S/C16H28O2/c1-11-5-4-6-12(9-11)14-10-16(2,3)8-7-13(14)15(17)18/h11-14H,4-10H2,1-3H3,(H,17,18)
InChIKeySBGXSFJOZBIXLS-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81020675
2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021336
(1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid
CID 14143356
2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid
CID 81021365
2,4,4,6-tetramethylcyclononane-1-carboxylic acid
CID 123147000
4-(3,3-dimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 165463044
2-butan-2-yl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81020356
2-(3,3-dimethylcyclohexyl)cyclopropane-1-carboxylic acid;naphthalene
CID 174902232
cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
CID 95788683
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine
CID 81014099
2-(4,4-dimethylcyclohexyl)oxycarbonyl-5-methylcyclohexane-1-carboxylic acid
CID 139821225

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid (CID 81020677) is 4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid is CC1CCCC(C2CC(C)(C)CCC2C(=O)O)C1.
What is the InChIKey of 4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid?
The InChIKey is SBGXSFJOZBIXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-11-5-4-6-12(9-11)14-10-16(2,3)8-7-13(14)15(17)18/h11-14H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid?
4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid has a molecular weight of 252.40 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).