3-(cyclohexen-1-yl)-2-methylpropanoic acid

C10H16O2 — CID 54053706

IUPAC3-(cyclohexen-1-yl)-2-methylpropanoic acid
SMILESCC(CC1=CCCCC1)C(=O)O
InChIInChI=1S/C10H16O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h5,8H,2-4,6-7H2,1H3,(H,11,12)
InChIKeyLUSMPHZMNKWVHR-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds3

About 3-(cyclohexen-1-yl)-2-methylpropanoic acid

3-(cyclohexen-1-yl)-2-methylpropanoic acid (PubChem CID 54053706) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-2-methylpropanoic acid
PubChem CID54053706
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-(cyclohexen-1-yl)-2-methylpropanoic acid
SMILESCC(CC1=CCCCC1)C(=O)O
InChIInChI=1S/C10H16O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h5,8H,2-4,6-7H2,1H3,(H,11,12)
InChIKeyLUSMPHZMNKWVHR-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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

1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
3-[2-(cyclohexen-1-yl)ethyl-propylamino]-2-methylpropanoic acid
CID 82328145
1-(cyclohexen-1-yl)-3-methylpentan-2-one
CID 116659851
3-[2-(cyclohexen-1-yl)ethyl-[2-(dimethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82330297
1-(cyclohexen-1-yl)-4-methylpentan-2-ol
CID 12869932
2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid
CID 117205922
(2S)-2-amino-3-(cyclohexen-1-yl)propanoate
CID 153456167
3-[2-(cyclohexen-1-yl)ethyl-pentylamino]-2-methylpropanoic acid
CID 82328340
(2S,3R)-2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 104964499
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(cyclohexen-1-yl)-2-methylpropanoic acid (CID 54053706) is 3-(cyclohexen-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(cyclohexen-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(cyclohexen-1-yl)-2-methylpropanoic acid is CC(CC1=CCCCC1)C(=O)O.
What is the InChIKey of 3-(cyclohexen-1-yl)-2-methylpropanoic acid?
The InChIKey is LUSMPHZMNKWVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h5,8H,2-4,6-7H2,1H3,(H,11,12).
What are the key properties of 3-(cyclohexen-1-yl)-2-methylpropanoic acid?
3-(cyclohexen-1-yl)-2-methylpropanoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 54053706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).