(1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one

C20H30O4 — CID 162984819

IUPAC(1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one
SMILESCC[C@H]1OC(=O)CCC/C=C\C/C=C\C/C=C\[C@H]2[C@H](O)[C@@H](O)C[C@@H]21
InChIInChI=1S/C20H30O4/c1-2-18-16-14-17(21)20(23)15(16)12-10-8-6-4-3-5-7-9-11-13-19(22)24-18/h4-7,10,12,15-18,20-21,23H,2-3,8-9,11,13-14H2,1H3/b6-4-,7-5-,12-10-/t15-,16+,17+,18-,20+/m1/s1
InChIKeyHBSDDNICWLARIO-POYOQXDYSA-N
MW334.46 g/mol
LogP3.30
Rot. Bonds1

About (1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one

(1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one (PubChem CID 162984819) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one.

Molecular Properties

Compound Name(1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one
PubChem CID162984819
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one
SMILESCC[C@H]1OC(=O)CCC/C=C\C/C=C\C/C=C\[C@H]2[C@H](O)[C@@H](O)C[C@@H]21
InChIInChI=1S/C20H30O4/c1-2-18-16-14-17(21)20(23)15(16)12-10-8-6-4-3-5-7-9-11-13-19(22)24-18/h4-7,10,12,15-18,20-21,23H,2-3,8-9,11,13-14H2,1H3/b6-4-,7-5-,12-10-/t15-,16+,17+,18-,20+/m1/s1
InChIKeyHBSDDNICWLARIO-POYOQXDYSA-N
XLogP3.30
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one 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

Prostaglandin F2 isopropyl ester
CID 5283077
1(3)-glyceryl-PGF2alpha
CID 24778485
Prostaglandin F2alpha-1,11-lactone
CID 5771740
15(R),19(R)-hydroxy Prostaglandin F2alpha
CID 52194030
Eiseniaiodide B
CID 11452880
19R-hydroxy-PGF2alpha
CID 5283047
(1R,2S,12Z,14S,15R,16R)-2-ethyl-15,16-dihydroxy-3-oxabicyclo[12.3.0]heptadec-12-en-4-one
CID 10244894
ecklonialactone C
CID 10470536
(1R,2S,9Z,12Z,14S,15R,16R)-2-ethyl-15-hydroxy-16-iodo-3-oxabicyclo[12.3.0]heptadeca-9,12-dien-4-one
CID 11177551
ectocarpin D
CID 168007566
plasmodiophorol A
CID 168007594
plasmodiophorol B
CID 168007596

Frequently Asked Questions

What is the IUPAC name of (1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one?
The IUPAC name of (1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one (CID 162984819) is (1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one.
What is the SMILES notation for (1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one?
The canonical SMILES for (1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one is CC[C@H]1OC(=O)CCC/C=C\C/C=C\C/C=C\[C@H]2[C@H](O)[C@@H](O)C[C@@H]21.
What is the InChIKey of (1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one?
The InChIKey is HBSDDNICWLARIO-POYOQXDYSA-N. The full InChI is InChI=1S/C20H30O4/c1-2-18-16-14-17(21)20(23)15(16)12-10-8-6-4-3-5-7-9-11-13-19(22)24-18/h4-7,10,12,15-18,20-21,23H,2-3,8-9,11,13-14H2,1H3/b6-4-,7-5-,12-10-/t15-,16+,17+,18-,20+/m1/s1.
What are the key properties of (1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one?
(1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one has a molecular weight of 334.46 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,8Z,11Z,14Z,16R,17S,18S)-2-ethyl-17,18-dihydroxy-3-oxabicyclo[14.3.0]nonadeca-8,11,14-trien-4-one is sourced from PubChem (CID 162984819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).