6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid

C16H26O3 — CID 102330612

IUPAC6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CCCCCC(=O)O
InChIInChI=1S/C16H26O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,13-14H,2,4,6-12H2,1H3,(H,18,19)/b5-3-/t13-,14+/m0/s1
InChIKeyWIJWBOWLVOOYFR-XEKFUKFUSA-N
MW266.38 g/mol
LogP3.97
Rot. Bonds9

About 6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid

6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid (PubChem CID 102330612) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid.

Molecular Properties

Compound Name6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid
PubChem CID102330612
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CCCCCC(=O)O
InChIInChI=1S/C16H26O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,13-14H,2,4,6-12H2,1H3,(H,18,19)/b5-3-/t13-,14+/m0/s1
InChIKeyWIJWBOWLVOOYFR-XEKFUKFUSA-N
XLogP3.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid?
The IUPAC name of 6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid (CID 102330612) is 6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid.
What is the SMILES notation for 6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid?
The canonical SMILES for 6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid is CC/C=C\C[C@H]1C(=O)CC[C@@H]1CCCCCC(=O)O.
What is the InChIKey of 6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid?
The InChIKey is WIJWBOWLVOOYFR-XEKFUKFUSA-N. The full InChI is InChI=1S/C16H26O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,13-14H,2,4,6-12H2,1H3,(H,18,19)/b5-3-/t13-,14+/m0/s1.
What are the key properties of 6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid?
6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid has a molecular weight of 266.38 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoic acid is sourced from PubChem (CID 102330612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).