7-cyclopent-2-en-1-ylheptanoic acid

C12H20O2 — CID 5282853

IUPAC7-cyclopent-2-en-1-ylheptanoic acid
SMILESO=C(O)CCCCCCC1C=CCC1
InChIInChI=1S/C12H20O2/c13-12(14)10-4-2-1-3-7-11-8-5-6-9-11/h5,8,11H,1-4,6-7,9-10H2,(H,13,14)
InChIKeyGMYNCKRSFMEXPG-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.38
Rot. Bonds7

About 7-cyclopent-2-en-1-ylheptanoic acid

7-cyclopent-2-en-1-ylheptanoic acid (PubChem CID 5282853) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 7-cyclopent-2-en-1-ylheptanoic acid.

Molecular Properties

Compound Name7-cyclopent-2-en-1-ylheptanoic acid
PubChem CID5282853
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name7-cyclopent-2-en-1-ylheptanoic acid
SMILESO=C(O)CCCCCCC1C=CCC1
InChIInChI=1S/C12H20O2/c13-12(14)10-4-2-1-3-7-11-8-5-6-9-11/h5,8,11H,1-4,6-7,9-10H2,(H,13,14)
InChIKeyGMYNCKRSFMEXPG-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Myristoleic Acid
CID 5281119
12-Oxo-phytodienoic acid
CID 5280411
4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
Chaulmoogric Acid
CID 441446
Myristelaidic acid
CID 5312402
(1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid
CID 5280729
Lauroleic Acid
CID 5312381
9s,13r-12-Oxophytodienoic Acid
CID 14037063
13-(Cyclopent-2-Enyl)Tridecanoic Acid
CID 72853
Dilinoleic acid
CID 232568
Bicyclo[3.3.1]non-6-ene-3-carboxylic acid
CID 361989
9-Pentadecenoic acid
CID 6365140

Frequently Asked Questions

What is the IUPAC name of 7-cyclopent-2-en-1-ylheptanoic acid?
The IUPAC name of 7-cyclopent-2-en-1-ylheptanoic acid (CID 5282853) is 7-cyclopent-2-en-1-ylheptanoic acid.
What is the SMILES notation for 7-cyclopent-2-en-1-ylheptanoic acid?
The canonical SMILES for 7-cyclopent-2-en-1-ylheptanoic acid is O=C(O)CCCCCCC1C=CCC1.
What is the InChIKey of 7-cyclopent-2-en-1-ylheptanoic acid?
The InChIKey is GMYNCKRSFMEXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-12(14)10-4-2-1-3-7-11-8-5-6-9-11/h5,8,11H,1-4,6-7,9-10H2,(H,13,14).
What are the key properties of 7-cyclopent-2-en-1-ylheptanoic acid?
7-cyclopent-2-en-1-ylheptanoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopent-2-en-1-ylheptanoic acid is sourced from PubChem (CID 5282853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).