4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol

C20H36O4 — CID 20670097

IUPAC4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol
SMILESC/C=C/CCC(O)CCC1C(O)CC(O)C1C/C=C/CCCCO
InChIInChI=1S/C20H36O4/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/h2-3,5,8,16-24H,4,6-7,9-15H2,1H3/b3-2+,8-5+
InChIKeyRZXPPUIZQXXENE-YNRRLODASA-N
MW340.50 g/mol
LogP2.95
Rot. Bonds12

About 4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol

4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol (PubChem CID 20670097) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is 4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol.

Molecular Properties

Compound Name4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol
PubChem CID20670097
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol
SMILESC/C=C/CCC(O)CCC1C(O)CC(O)C1C/C=C/CCCCO
InChIInChI=1S/C20H36O4/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/h2-3,5,8,16-24H,4,6-7,9-15H2,1H3/b3-2+,8-5+
InChIKeyRZXPPUIZQXXENE-YNRRLODASA-N
XLogP2.95
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 52.95
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'}

Analyze 4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol 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

cis-(1R,3S)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E)-6-hydroxyoct-2-enyl]cyclopentane-1,3-diol
CID 70117456
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxydecyl]cyclopentyl]hept-5-enoic acid
CID 70827516
CID 58960283
CID 58960283
4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol
CID 91525648
7-[3,5-dihydroxy-2-[3-hydroxy-5-(5-methylthiophen-2-yl)pentyl]cyclopentyl]hept-5-enamide
CID 91424049
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid;dihydrochloride
CID 138503362
(Z)-8-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylmethoxypentyl]cyclopentyl]oct-6-en-2-one;ethane
CID 165111479
cis-(1S,3R)-4-[(Z)-hept-2-enyl]-5-(2-hydroxybutyl)cyclopentane-1,3-diol
CID 67572759
propyl (E)-7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoate
CID 21057375
2-hydroxypropyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 70946574
[3-hydroxy-2-(hydroxymethyl)propanoyl] (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 90141827
propan-2-yl (Z)-7-[(1R,2R)-3,5-dihydroxy-2-(3-hydroxy-8-phenyloctyl)cyclopentyl]hept-5-enoate
CID 59962083

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol?
The IUPAC name of 4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol (CID 20670097) is 4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol.
What is the SMILES notation for 4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol?
The canonical SMILES for 4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol is C/C=C/CCC(O)CCC1C(O)CC(O)C1C/C=C/CCCCO.
What is the InChIKey of 4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol?
The InChIKey is RZXPPUIZQXXENE-YNRRLODASA-N. The full InChI is InChI=1S/C20H36O4/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/h2-3,5,8,16-24H,4,6-7,9-15H2,1H3/b3-2+,8-5+.
What are the key properties of 4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol?
4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol has a molecular weight of 340.50 g/mol, XLogP of 2.95, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol is sourced from PubChem (CID 20670097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).