5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one

C14H24O5 — CID 163109492

IUPAC5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one
SMILESCC(O)CCCCC=CC(O)C(O)C1CCC(=O)O1
InChIInChI=1S/C14H24O5/c1-10(15)6-4-2-3-5-7-11(16)14(18)12-8-9-13(17)19-12/h5,7,10-12,14-16,18H,2-4,6,8-9H2,1H3
InChIKeyHVNQKXWOAYJQBY-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.91
Rot. Bonds8

About 5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one

5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one (PubChem CID 163109492) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one.

Molecular Properties

Compound Name5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one
PubChem CID163109492
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one
SMILESCC(O)CCCCC=CC(O)C(O)C1CCC(=O)O1
InChIInChI=1S/C14H24O5/c1-10(15)6-4-2-3-5-7-11(16)14(18)12-8-9-13(17)19-12/h5,7,10-12,14-16,18H,2-4,6,8-9H2,1H3
InChIKeyHVNQKXWOAYJQBY-UHFFFAOYSA-N
XLogP0.91
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1,2,9-trihydroxydec-3-enyl)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

(5S)-5-[(1S,2E)-10,10-dibromo-1-hydroxydeca-2,9-dienyl]oxolan-2-one
CID 51002896
dec-3-ene-2,9-diol
CID 57127068
(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-one
CID 139039707
(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one
CID 11748091
5-(1-iodoethyl)oxolan-2-one
CID 101198694
5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
(E,2R)-dec-7-en-2-ol
CID 89151124
(5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one
CID 10849816
(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one
CID 135037990
(5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one
CID 124582079
(E)-undec-8-en-2-ol
CID 118316981
11-methyldodec-7-ene-2,9-diol
CID 123206187

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one?
The IUPAC name of 5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one (CID 163109492) is 5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one.
What is the SMILES notation for 5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one?
The canonical SMILES for 5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one is CC(O)CCCCC=CC(O)C(O)C1CCC(=O)O1.
What is the InChIKey of 5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one?
The InChIKey is HVNQKXWOAYJQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-10(15)6-4-2-3-5-7-11(16)14(18)12-8-9-13(17)19-12/h5,7,10-12,14-16,18H,2-4,6,8-9H2,1H3.
What are the key properties of 5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one?
5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one has a molecular weight of 272.34 g/mol, XLogP of 0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,9-trihydroxydec-3-enyl)oxolan-2-one is sourced from PubChem (CID 163109492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).