(4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one

C17H30O3 — CID 53356353

IUPAC(4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one
SMILESC=C[C@H]1CC(=O)O[C@@H]1[C@@H](O)CCCCCCCCCC
InChIInChI=1S/C17H30O3/c1-3-5-6-7-8-9-10-11-12-15(18)17-14(4-2)13-16(19)20-17/h4,14-15,17-18H,2-3,5-13H2,1H3/t14-,15-,17-/m0/s1
InChIKeyFXPUBEKEVFLSKA-ZOBUZTSGSA-N
MW282.42 g/mol
LogP4.00
Rot. Bonds11

About (4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one

(4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one (PubChem CID 53356353) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one
PubChem CID53356353
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one
SMILESC=C[C@H]1CC(=O)O[C@@H]1[C@@H](O)CCCCCCCCCC
InChIInChI=1S/C17H30O3/c1-3-5-6-7-8-9-10-11-12-15(18)17-14(4-2)13-16(19)20-17/h4,14-15,17-18H,2-3,5-13H2,1H3/t14-,15-,17-/m0/s1
InChIKeyFXPUBEKEVFLSKA-ZOBUZTSGSA-N
XLogP4.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
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 (4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-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

Oropheolide
CID 44606075
5-[11-hydroxy-11-[5-[(Z)-1-hydroxypentadec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
CID 131751150
(5S)-5-[(1R,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-5-methyloxolan-2-one
CID 102130906
9,10-Dihydrooropheolide
CID 46879782
Debilisone D
CID 46919583
Debilisone E
CID 46919678
Debilisone F
CID 46919679
Rubrenolide
CID 10881073
(3R,5S)-5-(hydroxymethyl)-3-icos-19-en-11-ynyloxolan-2-one
CID 9977730
Communiol H
CID 11435791
Mosinone A
CID 44559057
(2,4-Cis And Trans)-Mosinone A
CID 44566673

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one?
The IUPAC name of (4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one (CID 53356353) is (4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one.
What is the SMILES notation for (4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one?
The canonical SMILES for (4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one is C=C[C@H]1CC(=O)O[C@@H]1[C@@H](O)CCCCCCCCCC.
What is the InChIKey of (4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one?
The InChIKey is FXPUBEKEVFLSKA-ZOBUZTSGSA-N. The full InChI is InChI=1S/C17H30O3/c1-3-5-6-7-8-9-10-11-12-15(18)17-14(4-2)13-16(19)20-17/h4,14-15,17-18H,2-3,5-13H2,1H3/t14-,15-,17-/m0/s1.
What are the key properties of (4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one?
(4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one has a molecular weight of 282.42 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-ethenyl-5-[(1S)-1-hydroxyundecyl]oxolan-2-one is sourced from PubChem (CID 53356353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).