1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid

C12H20O2 — CID 130596408

IUPAC1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid
SMILESCC1CCC(CC2(C(=O)O)CC2)CC1
InChIInChI=1S/C12H20O2/c1-9-2-4-10(5-3-9)8-12(6-7-12)11(13)14/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyKFXQOTNAPKKDEY-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.07
Rot. Bonds3

About 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid

1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 130596408) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID130596408
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid
SMILESCC1CCC(CC2(C(=O)O)CC2)CC1
InChIInChI=1S/C12H20O2/c1-9-2-4-10(5-3-9)8-12(6-7-12)11(13)14/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyKFXQOTNAPKKDEY-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116928821
1-butyl-4-methylcyclohexane-1-carboxylic acid
CID 65395323
1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63243934
4-(cyclopropylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 21061045
4-methyl-1-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 65394081
4-(9-oxabicyclo[6.1.0]nonan-4-ylmethyl)-9-oxabicyclo[6.1.0]nonane-4-carboxylic acid
CID 91423952
1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446860
1-ethyl-4-methylcycloheptane-1-carboxylic acid
CID 89094333
1-(2,2-difluoroethyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425430
1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid
CID 82935062
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid
CID 20710011

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid (CID 130596408) is 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid is CC1CCC(CC2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is KFXQOTNAPKKDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-2-4-10(5-3-9)8-12(6-7-12)11(13)14/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid?
1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 196.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130596408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).