4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid

C11H18O2 — CID 175206014

IUPAC4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C2CC2)CC1
InChIInChI=1S/C11H18O2/c1-11(10(12)13)6-4-9(5-7-11)8-2-3-8/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyGWDBDMWQARSHHC-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds2

About 4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid

4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid (PubChem CID 175206014) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid
PubChem CID175206014
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C2CC2)CC1
InChIInChI=1S/C11H18O2/c1-11(10(12)13)6-4-9(5-7-11)8-2-3-8/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyGWDBDMWQARSHHC-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-methylcyclohexane-1-carboxylic acid
CID 12547623
3-methylbicyclo[4.1.0]heptane-3-carboxylic acid
CID 59761129
cis-(1S,3S)-3-hydroxy-1-methylcyclopentane-1-carboxylic acid
CID 66753163
4-(4,4-dicarboxycyclohexyl)cyclohexane-1,1-dicarboxylic acid
CID 69129361
1,6,6-trimethylcycloundecane-1-carboxylic acid
CID 70908763
trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid
CID 66932920
3-amino-1-methylcyclopentane-1-carboxylic acid
CID 67230266
(1S,4Z,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid;bis((1S,4E,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid);(1R,4Z,6R)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid;bis((1R,4E,6R)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid)
CID 167557842
4-chloro-1,4-dimethylcyclohexane-1-carboxylic acid
CID 4227726
acetic acid;bicyclo[2.2.0]hexane;ethane
CID 123577284
1,3-dimethylcyclobutane-1,3-dicarboxylic acid
CID 13026828
1-formyl-4-methylpiperidine-4-carboxylic acid
CID 63123507

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid (CID 175206014) is 4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCC(C2CC2)CC1.
What is the InChIKey of 4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is GWDBDMWQARSHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(10(12)13)6-4-9(5-7-11)8-2-3-8/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid?
4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 175206014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).