(Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid

C22H38O4 — CID 154004373

IUPAC(Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid
SMILESCCCCCCCC(O)/C=C/C1CCC(O)C1CC/C=C\CCC(=O)O
InChIInChI=1S/C22H38O4/c1-2-3-4-5-8-11-19(23)16-14-18-15-17-21(24)20(18)12-9-6-7-10-13-22(25)26/h6-7,14,16,18-21,23-24H,2-5,8-13,15,17H2,1H3,(H,25,26)/b7-6-,16-14+
InChIKeyXIGAQOJOOPCIRP-VGGPMKHUSA-N
MW366.54 g/mol
LogP4.85
Rot. Bonds14

About (Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid

(Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid (PubChem CID 154004373) has the molecular formula C22H38O4 and a molecular weight of 366.54 g/mol. Its IUPAC name is (Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid.

Molecular Properties

Compound Name(Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid
PubChem CID154004373
Molecular FormulaC22H38O4
Molecular Weight366.54 g/mol
Exact Mass366.28
IUPAC Name(Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid
SMILESCCCCCCCC(O)/C=C/C1CCC(O)C1CC/C=C\CCC(=O)O
InChIInChI=1S/C22H38O4/c1-2-3-4-5-8-11-19(23)16-14-18-15-17-21(24)20(18)12-9-6-7-10-13-22(25)26/h6-7,14,16,18-21,23-24H,2-5,8-13,15,17H2,1H3,(H,25,26)/b7-6-,16-14+
InChIKeyXIGAQOJOOPCIRP-VGGPMKHUSA-N
XLogP4.85
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.54
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol
CID 70116464
7-[(1S,2R)-2-[(E)-3-hydroxydec-1-enyl]-5-oxocyclopentyl]hept-4-enoic acid
CID 70601999
8-[2-hydroxy-5-[(E)-3-hydroxynon-1-enyl]cyclopentyl]oct-6-ynoic acid
CID 21403608
(1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol
CID 70547983
7-[(1R,2S,5R)-2-(5-ethoxy-3-hydroxy-4,4-dimethylpent-1-enyl)-5-hydroxycyclopentyl]hept-4-enoic acid
CID 54126632
methyl (E)-7-[2-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 14214746
6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid
CID 21403747
(E)-6-[2-[(E)-3-hydroxynon-1-enyl]-5-oxocyclopentyl]hex-4-enoic acid
CID 21403780
(4E,12E)-14-hydroxyicosa-4,12-dienoic acid
CID 102068269
6-[2-hydroxy-5-(3-oxooct-1-enyl)cyclopentyl]hex-4-enoic acid
CID 57257251
(E)-7-[2-[(Z)-4-ethyl-3-hydroxyoct-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 149434844
(Z)-9-[(1R,2R,3S,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid
CID 35022708

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid?
The IUPAC name of (Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid (CID 154004373) is (Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid.
What is the SMILES notation for (Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid?
The canonical SMILES for (Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid is CCCCCCCC(O)/C=C/C1CCC(O)C1CC/C=C\CCC(=O)O.
What is the InChIKey of (Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid?
The InChIKey is XIGAQOJOOPCIRP-VGGPMKHUSA-N. The full InChI is InChI=1S/C22H38O4/c1-2-3-4-5-8-11-19(23)16-14-18-15-17-21(24)20(18)12-9-6-7-10-13-22(25)26/h6-7,14,16,18-21,23-24H,2-5,8-13,15,17H2,1H3,(H,25,26)/b7-6-,16-14+.
What are the key properties of (Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid?
(Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid has a molecular weight of 366.54 g/mol, XLogP of 4.85, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid is sourced from PubChem (CID 154004373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).