2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid

C10H16O2 — CID 68881461

IUPAC2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
SMILESC=CCC1(C(=O)O)CCCC1C
InChIInChI=1S/C10H16O2/c1-3-6-10(9(11)12)7-4-5-8(10)2/h3,8H,1,4-7H2,2H3,(H,11,12)
InChIKeyMXCLTZSYFUCKEJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds3

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

2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid (PubChem CID 68881461) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
PubChem CID68881461
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
SMILESC=CCC1(C(=O)O)CCCC1C
InChIInChI=1S/C10H16O2/c1-3-6-10(9(11)12)7-4-5-8(10)2/h3,8H,1,4-7H2,2H3,(H,11,12)
InChIKeyMXCLTZSYFUCKEJ-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
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-enylcyclohexane-1-carboxylic acid
CID 131021386
cis-(1R,6S)-2,2,6-trimethyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 121395484
(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid
CID 130935055
1,2-dimethyl-1-prop-2-enylcyclopentane
CID 148975719
2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 131165500
3,5-dimethyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 165442273
2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid
CID 131182150
cis-ethyl (1R,2R)-2-hydroxy-1-prop-2-enylcyclohexane-1-carboxylate
CID 101032729
4-prop-2-enylbicyclo[2.2.2]octane-1-carboxylic acid
CID 70476769
1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one
CID 67427162
1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene
CID 159439437

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid (CID 68881461) is 2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid is C=CCC1(C(=O)O)CCCC1C.
What is the InChIKey of 2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid?
The InChIKey is MXCLTZSYFUCKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-6-10(9(11)12)7-4-5-8(10)2/h3,8H,1,4-7H2,2H3,(H,11,12).
What are the key properties of 2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid?
2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.45, 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-enylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 68881461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).