9-cyclopent-2-en-1-ylnonanoic acid

C14H24O2 — CID 5282854

IUPAC9-cyclopent-2-en-1-ylnonanoic acid
SMILESO=C(O)CCCCCCCCC1C=CCC1
InChIInChI=1S/C14H24O2/c15-14(16)12-6-4-2-1-3-5-9-13-10-7-8-11-13/h7,10,13H,1-6,8-9,11-12H2,(H,15,16)
InChIKeyDTHSUAKYTFUSQU-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.16
Rot. Bonds9

About 9-cyclopent-2-en-1-ylnonanoic acid

9-cyclopent-2-en-1-ylnonanoic acid (PubChem CID 5282854) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 9-cyclopent-2-en-1-ylnonanoic acid.

Molecular Properties

Compound Name9-cyclopent-2-en-1-ylnonanoic acid
PubChem CID5282854
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name9-cyclopent-2-en-1-ylnonanoic acid
SMILESO=C(O)CCCCCCCCC1C=CCC1
InChIInChI=1S/C14H24O2/c15-14(16)12-6-4-2-1-3-5-9-13-10-7-8-11-13/h7,10,13H,1-6,8-9,11-12H2,(H,15,16)
InChIKeyDTHSUAKYTFUSQU-UHFFFAOYSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.16
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 9-cyclopent-2-en-1-ylnonanoic acid?
The IUPAC name of 9-cyclopent-2-en-1-ylnonanoic acid (CID 5282854) is 9-cyclopent-2-en-1-ylnonanoic acid.
What is the SMILES notation for 9-cyclopent-2-en-1-ylnonanoic acid?
The canonical SMILES for 9-cyclopent-2-en-1-ylnonanoic acid is O=C(O)CCCCCCCCC1C=CCC1.
What is the InChIKey of 9-cyclopent-2-en-1-ylnonanoic acid?
The InChIKey is DTHSUAKYTFUSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c15-14(16)12-6-4-2-1-3-5-9-13-10-7-8-11-13/h7,10,13H,1-6,8-9,11-12H2,(H,15,16).
What are the key properties of 9-cyclopent-2-en-1-ylnonanoic acid?
9-cyclopent-2-en-1-ylnonanoic acid has a molecular weight of 224.34 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopent-2-en-1-ylnonanoic acid is sourced from PubChem (CID 5282854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).