2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid

C12H20O2 — CID 81020675

IUPAC2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid
SMILESCC1(C)CCC(C(=O)O)C(C2CC2)C1
InChIInChI=1S/C12H20O2/c1-12(2)6-5-9(11(13)14)10(7-12)8-3-4-8/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyCCYKRRIXYKHBJV-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.92
Rot. Bonds2

About 2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid

2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid (PubChem CID 81020675) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid
PubChem CID81020675
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid
SMILESCC1(C)CCC(C(=O)O)C(C2CC2)C1
InChIInChI=1S/C12H20O2/c1-12(2)6-5-9(11(13)14)10(7-12)8-3-4-8/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyCCYKRRIXYKHBJV-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 81020677
2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021336
2-butan-2-yl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81020356
4,4-dimethyl-2-pentylcyclohexane-1-carboxylic acid
CID 81021082
2-(2,4-dimethylphenyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021330
2-hexyl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021000
4-(3,3-dimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 165463044
5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 134223782
trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
CID 124510186
3-amino-2,3-dimethylcyclopentane-1-carboxylic acid
CID 45122086
2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119187245
2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 116811353

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid (CID 81020675) is 2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid is CC1(C)CCC(C(=O)O)C(C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid?
The InChIKey is CCYKRRIXYKHBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(2)6-5-9(11(13)14)10(7-12)8-3-4-8/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid?
2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid has a molecular weight of 196.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).