4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol

C20H38O4 — CID 53394173

IUPAC4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol
SMILESCCCCCC(O)C=CC1C(O)CC(O)C1CCCCCCCO
InChIInChI=1S/C20H38O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h12-13,16-24H,2-11,14-15H2,1H3
InChIKeyPZXLDAYOXMEITH-UHFFFAOYSA-N
MW342.52 g/mol
LogP3.17
Rot. Bonds13

About 4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol

4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol (PubChem CID 53394173) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is 4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol.

Molecular Properties

Compound Name4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol
PubChem CID53394173
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol
SMILESCCCCCC(O)C=CC1C(O)CC(O)C1CCCCCCCO
InChIInChI=1S/C20H38O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h12-13,16-24H,2-11,14-15H2,1H3
InChIKeyPZXLDAYOXMEITH-UHFFFAOYSA-N
XLogP3.17
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

Dinoprost
CID 5280363
11-Epiprostaglandin F2alpha
CID 5280886
PGF1alpha
CID 5280939
8-Epi-prostaglandin F2alpha
CID 5282263
Prostaglandin F2alpha methyl ester
CID 5283102
PGF2beta
CID 5280506
Carboprost
CID 5281075
5-trans-PGF2alpha
CID 5283078
PGF3alpha
CID 5280940
16,16-Dimethylprostaglandin F2alpha
CID 6441607
(E,Z)-(1R,2R,3R,5S)-7-(3,5-Dihydroxy-2-((3S)-(3-hydroxy-1-octenyl))cyclopentyl)-5-heptenoic acid
CID 5353586
Prostaglandin F2 isopropyl ester
CID 5283077

Frequently Asked Questions

What is the IUPAC name of 4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol?
The IUPAC name of 4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol (CID 53394173) is 4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol.
What is the SMILES notation for 4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol?
The canonical SMILES for 4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol is CCCCCC(O)C=CC1C(O)CC(O)C1CCCCCCCO.
What is the InChIKey of 4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol?
The InChIKey is PZXLDAYOXMEITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h12-13,16-24H,2-11,14-15H2,1H3.
What are the key properties of 4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol?
4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol has a molecular weight of 342.52 g/mol, XLogP of 3.17, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol is sourced from PubChem (CID 53394173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).