7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid

C20H36O2 — CID 70513342

IUPAC7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
SMILESCCCCCC/C=C\[C@H]1CCC[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h9,13,18-19H,2-8,10-12,14-17H2,1H3,(H,21,22)/b13-9-/t18-,19-/m0/s1
InChIKeyQLJCPRYAASBIGP-QKRUOFELSA-N
MW308.51 g/mol
LogP6.35
Rot. Bonds13

About 7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid

7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid (PubChem CID 70513342) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
PubChem CID70513342
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
SMILESCCCCCC/C=C\[C@H]1CCC[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h9,13,18-19H,2-8,10-12,14-17H2,1H3,(H,21,22)/b13-9-/t18-,19-/m0/s1
InChIKeyQLJCPRYAASBIGP-QKRUOFELSA-N
XLogP6.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.35
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

7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181
trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 154418264
2-[4-[(1R,2S)-2-dec-1-enylcyclopentyl]butylsulfanyl]acetic acid
CID 57231144
2-[4-[(1R,2S)-2-non-1-enylcyclopentyl]butylsulfanyl]acetic acid
CID 57306372
6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid
CID 57014423
7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
CID 22806593
4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid
CID 153363841

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid (CID 70513342) is 7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid is CCCCCC/C=C\[C@H]1CCC[C@@H]1CCCCCCC(=O)O.
What is the InChIKey of 7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid?
The InChIKey is QLJCPRYAASBIGP-QKRUOFELSA-N. The full InChI is InChI=1S/C20H36O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h9,13,18-19H,2-8,10-12,14-17H2,1H3,(H,21,22)/b13-9-/t18-,19-/m0/s1.
What are the key properties of 7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid?
7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid has a molecular weight of 308.51 g/mol, XLogP of 6.35, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid is sourced from PubChem (CID 70513342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).