(Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane

C23H44O3 — CID 158178848

IUPAC(Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane
SMILESC.C.C.CC/C=C\C[C@H](O)/C=C/[C@H]1CCCC1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O3.3CH4/c1-2-3-6-13-19(21)16-15-18-12-9-11-17(18)10-7-4-5-8-14-20(22)23;;;/h3-4,6-7,15-19,21H,2,5,8-14H2,1H3,(H,22,23);3*1H4/b6-3-,7-4-,16-15+;;;/t17?,18-,19+;;;/m1.../s1
InChIKeyFYIGAZUWVDPBOU-QRAWRLTLSA-N
MW368.60 g/mol
LogP6.79
Rot. Bonds11

About (Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane

(Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane (PubChem CID 158178848) has the molecular formula C23H44O3 and a molecular weight of 368.60 g/mol. Its IUPAC name is (Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane.

Molecular Properties

Compound Name(Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane
PubChem CID158178848
Molecular FormulaC23H44O3
Molecular Weight368.60 g/mol
Exact Mass368.33
IUPAC Name(Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane
SMILESC.C.C.CC/C=C\C[C@H](O)/C=C/[C@H]1CCCC1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O3.3CH4/c1-2-3-6-13-19(21)16-15-18-12-9-11-17(18)10-7-4-5-8-14-20(22)23;;;/h3-4,6-7,15-19,21H,2,5,8-14H2,1H3,(H,22,23);3*1H4/b6-3-,7-4-,16-15+;;;/t17?,18-,19+;;;/m1.../s1
InChIKeyFYIGAZUWVDPBOU-QRAWRLTLSA-N
XLogP6.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.60
LogP ≤ 56.79
H-Bond Donors ≤ 52
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 (Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane with MolForge

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

Launch Full Analysis

Related Compounds

(E)-7-[2-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
CID 22093416
(Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
CID 59892273
(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
(E)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(1E,3R,5E)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
CID 124586049
7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
CID 57042448
(Z)-7-[(1R,2R,3S)-3-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 35022205
(Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 172859860
(Z)-7-[(1R,3S,4R,5R)-3-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
CID 50935421
(E)-7-[(2R,3S,4S,6S)-4,6-dihydroxy-2-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]oxan-3-yl]hept-5-enoic acid
CID 125183346
(Z)-7-[(1R)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 90471786
(Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 5283112
(Z)-7-[(1R,2S)-2-[(1E,3R,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 35021035

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane?
The IUPAC name of (Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane (CID 158178848) is (Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane.
What is the SMILES notation for (Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane?
The canonical SMILES for (Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane is C.C.C.CC/C=C\C[C@H](O)/C=C/[C@H]1CCCC1C/C=C\CCCC(=O)O.
What is the InChIKey of (Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane?
The InChIKey is FYIGAZUWVDPBOU-QRAWRLTLSA-N. The full InChI is InChI=1S/C20H32O3.3CH4/c1-2-3-6-13-19(21)16-15-18-12-9-11-17(18)10-7-4-5-8-14-20(22)23;;;/h3-4,6-7,15-19,21H,2,5,8-14H2,1H3,(H,22,23);3*1H4/b6-3-,7-4-,16-15+;;;/t17?,18-,19+;;;/m1.../s1.
What are the key properties of (Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane?
(Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane has a molecular weight of 368.60 g/mol, XLogP of 6.79, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid;methane is sourced from PubChem (CID 158178848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).