7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid

C20H34O4 — CID 57008385

IUPAC7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid
SMILESCCCC(C)C(O)C=C[C@H]1CC[C@H](O)[C@@H]1CC=CCCCC(=O)O
InChIInChI=1S/C20H34O4/c1-3-8-15(2)18(21)13-11-16-12-14-19(22)17(16)9-6-4-5-7-10-20(23)24/h4,6,11,13,15-19,21-22H,3,5,7-10,12,14H2,1-2H3,(H,23,24)/t15?,16-,17+,18?,19-/m0/s1
InChIKeyHKZIPRBVKHVVSG-BPJBSSMVSA-N
MW338.49 g/mol
LogP3.93
Rot. Bonds11

About 7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid

7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid (PubChem CID 57008385) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid
PubChem CID57008385
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid
SMILESCCCC(C)C(O)C=C[C@H]1CC[C@H](O)[C@@H]1CC=CCCCC(=O)O
InChIInChI=1S/C20H34O4/c1-3-8-15(2)18(21)13-11-16-12-14-19(22)17(16)9-6-4-5-7-10-20(23)24/h4,6,11,13,15-19,21-22H,3,5,7-10,12,14H2,1-2H3,(H,23,24)/t15?,16-,17+,18?,19-/m0/s1
InChIKeyHKZIPRBVKHVVSG-BPJBSSMVSA-N
XLogP3.93
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.93
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'}

Analyze 7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid with MolForge

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Related Compounds

(E)-7-[2-[(Z)-4-ethyl-3-hydroxyoct-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 149434844
(Z)-7-[2-hydroxy-5-(3-hydroxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enoic acid
CID 67816140
(Z)-7-[(1R,2R)-2-[(E,3R)-3-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 90474637
(Z)-7-[(1R,2R)-2-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 90474422
8-[2-(1-carboxyhexan-3-yl)-3-hydroxycyclopentyl]-6-hydroxy-5-methyloct-7-enoic acid
CID 172864103
methyl (E)-7-[2-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 14214746
7-[(1R,2R)-2-[(3S)-5-(4-bromo-3-ethyl-5-methylthiophen-2-yl)-3-hydroxypent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 91147126
7-[(1R,2R)-2-[(3S)-5-(4-bromo-3-methylphenyl)-3-hydroxypent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 91175606
7-[(1R,5R)-2-hydroxy-5-[(3R)-3-hydroxy-4-(5-methylthiophen-2-yl)sulfanylbut-1-enyl]cyclopentyl]hept-5-enoic acid
CID 90760295
6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid
CID 57284692
(E)-7-[(1R,2S)-2-hydroxy-5-[(E,3R)-3-hydroxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoic acid
CID 58218958
7-[(1R,2S)-2-hydroxy-5-[3-hydroxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoic acid
CID 123430981

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid?
The IUPAC name of 7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid (CID 57008385) is 7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for 7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid?
The canonical SMILES for 7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid is CCCC(C)C(O)C=C[C@H]1CC[C@H](O)[C@@H]1CC=CCCCC(=O)O.
What is the InChIKey of 7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid?
The InChIKey is HKZIPRBVKHVVSG-BPJBSSMVSA-N. The full InChI is InChI=1S/C20H34O4/c1-3-8-15(2)18(21)13-11-16-12-14-19(22)17(16)9-6-4-5-7-10-20(23)24/h4,6,11,13,15-19,21-22H,3,5,7-10,12,14H2,1-2H3,(H,23,24)/t15?,16-,17+,18?,19-/m0/s1.
What are the key properties of 7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid?
7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid has a molecular weight of 338.49 g/mol, XLogP of 3.93, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 57008385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).