trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one

C20H34O3 — CID 6438718

IUPACtrans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one
SMILESCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCCO
InChIInChI=1S/C20H34O3/c1-2-3-7-10-18(22)14-12-17-13-15-20(23)19(17)11-8-5-4-6-9-16-21/h5,8,12,14,17-19,21-22H,2-4,6-7,9-11,13,15-16H2,1H3/b8-5-,14-12+/t17-,18-,19+/m0/s1
InChIKeySEMCUKYPAAMRLU-MADZDOCKSA-N
MW322.49 g/mol
LogP4.19
Rot. Bonds12

About trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one

trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one (PubChem CID 6438718) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one
PubChem CID6438718
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Nametrans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one
SMILESCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCCO
InChIInChI=1S/C20H34O3/c1-2-3-7-10-18(22)14-12-17-13-15-20(23)19(17)11-8-5-4-6-9-16-21/h5,8,12,14,17-19,21-22H,2-4,6-7,9-11,13,15-16H2,1H3/b8-5-,14-12+/t17-,18-,19+/m0/s1
InChIKeySEMCUKYPAAMRLU-MADZDOCKSA-N
XLogP4.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.19
H-Bond Donors ≤ 52
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 trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one with MolForge

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Related Compounds

Prostaglandin E2
CID 5280360
Prostaglandin D2
CID 448457
Prostaglandin E3
CID 5280937
15-epi-Prostaglandin E2
CID 5283086
11-Deoxy-PGE1
CID 5283055
Pgd1
CID 5280936
11beta-PGE2
CID 5283061
8-Isoprostaglandin E2
CID 5283213
Prostaglandin E-2
CID 16219826
Trimoprostil
CID 6917757
11-Deoxy-PGE2
CID 5283062
5-trans-PGE2
CID 5283116

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one?
The IUPAC name of trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one (CID 6438718) is trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one.
What is the SMILES notation for trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one?
The canonical SMILES for trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one is CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCCO.
What is the InChIKey of trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one?
The InChIKey is SEMCUKYPAAMRLU-MADZDOCKSA-N. The full InChI is InChI=1S/C20H34O3/c1-2-3-7-10-18(22)14-12-17-13-15-20(23)19(17)11-8-5-4-6-9-16-21/h5,8,12,14,17-19,21-22H,2-4,6-7,9-11,13,15-16H2,1H3/b8-5-,14-12+/t17-,18-,19+/m0/s1.
What are the key properties of trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one?
trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one has a molecular weight of 322.49 g/mol, XLogP of 4.19, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one is sourced from PubChem (CID 6438718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).