3-cyclohex-3-en-1-ylpropanoic acid

C9H14O2 — CID 565016

IUPAC3-cyclohex-3-en-1-ylpropanoic acid
SMILESO=C(O)CCC1CC=CCC1
InChIInChI=1S/C9H14O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,10,11)
InChIKeyJUPIZEDARUFEEP-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.21
Rot. Bonds3

About 3-cyclohex-3-en-1-ylpropanoic acid

3-cyclohex-3-en-1-ylpropanoic acid (PubChem CID 565016) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-ylpropanoic acid.

Molecular Properties

Compound Name3-cyclohex-3-en-1-ylpropanoic acid
PubChem CID565016
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-cyclohex-3-en-1-ylpropanoic acid
SMILESO=C(O)CCC1CC=CCC1
InChIInChI=1S/C9H14O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,10,11)
InChIKeyJUPIZEDARUFEEP-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.21
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

Citronellic acid
CID 10402
4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
5-Norbornene-2-carboxylic acid
CID 78949
3-Cyclohexene-1-carboxylic acid
CID 20903
Chaulmoogric Acid
CID 441446
1-Cyclohexene-1-acetic acid
CID 86699
13-(Cyclopent-2-Enyl)Tridecanoic Acid
CID 72853
Dilinoleic acid
CID 232568
Bicyclo[3.3.1]non-6-ene-3-carboxylic acid
CID 361989
6-Methylcyclohex-3-ene-1-carboxylic acid
CID 221278
(R)-(+)-citronellic acid
CID 6999957
2-Cyclopentene-1-tridecanoic acid
CID 12302887

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-3-en-1-ylpropanoic acid?
The IUPAC name of 3-cyclohex-3-en-1-ylpropanoic acid (CID 565016) is 3-cyclohex-3-en-1-ylpropanoic acid.
What is the SMILES notation for 3-cyclohex-3-en-1-ylpropanoic acid?
The canonical SMILES for 3-cyclohex-3-en-1-ylpropanoic acid is O=C(O)CCC1CC=CCC1.
What is the InChIKey of 3-cyclohex-3-en-1-ylpropanoic acid?
The InChIKey is JUPIZEDARUFEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,10,11).
What are the key properties of 3-cyclohex-3-en-1-ylpropanoic acid?
3-cyclohex-3-en-1-ylpropanoic acid has a molecular weight of 154.21 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-ylpropanoic acid is sourced from PubChem (CID 565016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).