7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid

C20H32O2 — CID 57259279

IUPAC7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid
SMILESC=C(C=CCCCC(=O)O)[C@H]1CCC[C@@H]1C=CCCCCC
InChIInChI=1S/C20H32O2/c1-3-4-5-6-9-13-18-14-11-15-19(18)17(2)12-8-7-10-16-20(21)22/h8-9,12-13,18-19H,2-7,10-11,14-16H2,1H3,(H,21,22)/t18-,19+/m0/s1
InChIKeyIZPJKKBFZAHOBL-RBUKOAKNSA-N
MW304.47 g/mol
LogP5.91
Rot. Bonds11

About 7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid

7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid (PubChem CID 57259279) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid.

Molecular Properties

Compound Name7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid
PubChem CID57259279
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid
SMILESC=C(C=CCCCC(=O)O)[C@H]1CCC[C@@H]1C=CCCCCC
InChIInChI=1S/C20H32O2/c1-3-4-5-6-9-13-18-14-11-15-19(18)17(2)12-8-7-10-16-20(21)22/h8-9,12-13,18-19H,2-7,10-11,14-16H2,1H3,(H,21,22)/t18-,19+/m0/s1
InChIKeyIZPJKKBFZAHOBL-RBUKOAKNSA-N
XLogP5.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.91
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid
CID 57014423
5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 154418264
4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid
CID 153363841
(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
CID 143897565
2-non-1-enylcyclopropane-1-carboxylic acid
CID 57032997
(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
(Z)-tricos-5-enoic acid
CID 170849785
(5E,9E,23E)-nonacosa-5,9,23-trienoic acid
CID 15613193

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid?
The IUPAC name of 7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid (CID 57259279) is 7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid.
What is the SMILES notation for 7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid?
The canonical SMILES for 7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid is C=C(C=CCCCC(=O)O)[C@H]1CCC[C@@H]1C=CCCCCC.
What is the InChIKey of 7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid?
The InChIKey is IZPJKKBFZAHOBL-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H32O2/c1-3-4-5-6-9-13-18-14-11-15-19(18)17(2)12-8-7-10-16-20(21)22/h8-9,12-13,18-19H,2-7,10-11,14-16H2,1H3,(H,21,22)/t18-,19+/m0/s1.
What are the key properties of 7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid?
7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid has a molecular weight of 304.47 g/mol, XLogP of 5.91, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid is sourced from PubChem (CID 57259279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).