(2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one

C20H36O4 — CID 54083980

IUPAC(2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one
SMILESCCCCC(O)CC=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCO
InChIInChI=1S/C20H36O4/c1-2-3-10-16(22)11-9-13-18-17(19(23)15-20(18)24)12-7-5-4-6-8-14-21/h9,13,16-18,20-22,24H,2-8,10-12,14-15H2,1H3/t16?,17-,18-,20-/m1/s1
InChIKeyMPCIAUIUBKFHBZ-HFGOSGJMSA-N
MW340.50 g/mol
LogP3.38
Rot. Bonds13

About (2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one

(2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one (PubChem CID 54083980) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is (2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one
PubChem CID54083980
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name(2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one
SMILESCCCCC(O)CC=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCO
InChIInChI=1S/C20H36O4/c1-2-3-10-16(22)11-9-13-18-17(19(23)15-20(18)24)12-7-5-4-6-8-14-21/h9,13,16-18,20-22,24H,2-8,10-12,14-15H2,1H3/t16?,17-,18-,20-/m1/s1
InChIKeyMPCIAUIUBKFHBZ-HFGOSGJMSA-N
XLogP3.38
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one?
The IUPAC name of (2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one (CID 54083980) is (2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one.
What is the SMILES notation for (2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one?
The canonical SMILES for (2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one is CCCCC(O)CC=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCO.
What is the InChIKey of (2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one?
The InChIKey is MPCIAUIUBKFHBZ-HFGOSGJMSA-N. The full InChI is InChI=1S/C20H36O4/c1-2-3-10-16(22)11-9-13-18-17(19(23)15-20(18)24)12-7-5-4-6-8-14-21/h9,13,16-18,20-22,24H,2-8,10-12,14-15H2,1H3/t16?,17-,18-,20-/m1/s1.
What are the key properties of (2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one?
(2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one has a molecular weight of 340.50 g/mol, XLogP of 3.38, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-(4-hydroxyoct-1-enyl)cyclopentan-1-one is sourced from PubChem (CID 54083980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).