2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid

C11H18O2 — CID 131021386

IUPAC2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid
SMILESC=CCC1(C(=O)O)CCCCC1C
InChIInChI=1S/C11H18O2/c1-3-7-11(10(12)13)8-5-4-6-9(11)2/h3,9H,1,4-8H2,2H3,(H,12,13)
InChIKeyGMFAWZVEZXKCHB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds3

About 2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid

2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid (PubChem CID 131021386) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid
PubChem CID131021386
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid
SMILESC=CCC1(C(=O)O)CCCCC1C
InChIInChI=1S/C11H18O2/c1-3-7-11(10(12)13)8-5-4-6-9(11)2/h3,9H,1,4-8H2,2H3,(H,12,13)
InChIKeyGMFAWZVEZXKCHB-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
CID 68881461
1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid
CID 130935055
cis-(1R,6S)-2,2,6-trimethyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 121395484
cis-ethyl (1R,2R)-2-hydroxy-1-prop-2-enylcyclohexane-1-carboxylate
CID 101032729
1-but-3-en-2-yl-2-methylcyclohexane-1-carboxylic acid
CID 131181795
1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene
CID 159439437
(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
1-propylcyclohexane-1,2-dicarboxylic acid
CID 18175920
2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 131165500
1,2-dimethyl-1-prop-2-enylcyclopentane
CID 148975719
1-[4,4-bis(prop-2-enyl)cyclohexyl]cyclohexane-1-carboxylic acid
CID 70579578
N,1-diethyl-2-methylcycloheptane-1-carboxamide
CID 20549202

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid (CID 131021386) is 2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid is C=CCC1(C(=O)O)CCCCC1C.
What is the InChIKey of 2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid?
The InChIKey is GMFAWZVEZXKCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-7-11(10(12)13)8-5-4-6-9(11)2/h3,9H,1,4-8H2,2H3,(H,12,13).
What are the key properties of 2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid?
2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 131021386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).