5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one

C19H34O4 — CID 162820198

IUPAC5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one
SMILESC=CCCCCCCCCC1CC(CC(COC)OC)C(=O)O1
InChIInChI=1S/C19H34O4/c1-4-5-6-7-8-9-10-11-12-17-13-16(19(20)23-17)14-18(22-3)15-21-2/h4,16-18H,1,5-15H2,2-3H3
InChIKeyFTGCKUMDSDOOLW-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.28
Rot. Bonds14

About 5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one

5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one (PubChem CID 162820198) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is 5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one.

Molecular Properties

Compound Name5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one
PubChem CID162820198
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one
SMILESC=CCCCCCCCCC1CC(CC(COC)OC)C(=O)O1
InChIInChI=1S/C19H34O4/c1-4-5-6-7-8-9-10-11-12-17-13-16(19(20)23-17)14-18(22-3)15-21-2/h4,16-18H,1,5-15H2,2-3H3
InChIKeyFTGCKUMDSDOOLW-UHFFFAOYSA-N
XLogP4.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Rubrenolide
CID 10881073
(3R,5S)-5-(methoxymethyl)-3-[(13Z)-octadeca-13,17-dien-9,11-diynyl]oxolan-2-one
CID 54589671
Cananginone C
CID 54589744
(4R,5R)-4-ethenyl-5-tridecyloxolan-2-one
CID 53355543
(3R,5S)-5-(methoxymethyl)-3-[(Z)-octadec-13-en-9,11-diynyl]oxolan-2-one
CID 54589672
(3R,5S)-5-(methoxymethyl)-3-octadec-17-en-9-ynyloxolan-2-one
CID 54589747
5-(but-3-en-1-yl)-3-propyldihydrofuran-2(3H)-one
CID 139586521
3-[2,3-Bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one
CID 162820168
Methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate
CID 162820218
(3R,5S)-5-(methoxymethyl)-3-octadeca-13,17-dien-9,11-diynyloxolan-2-one
CID 162868213
5-Dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one
CID 162891340
[2-Acetyloxy-3-(5-decyl-2-oxooxolan-3-yl)propyl] acetate
CID 162911237

Frequently Asked Questions

What is the IUPAC name of 5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one?
The IUPAC name of 5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one (CID 162820198) is 5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one.
What is the SMILES notation for 5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one?
The canonical SMILES for 5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one is C=CCCCCCCCCC1CC(CC(COC)OC)C(=O)O1.
What is the InChIKey of 5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one?
The InChIKey is FTGCKUMDSDOOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-4-5-6-7-8-9-10-11-12-17-13-16(19(20)23-17)14-18(22-3)15-21-2/h4,16-18H,1,5-15H2,2-3H3.
What are the key properties of 5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one?
5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one has a molecular weight of 326.48 g/mol, XLogP of 4.28, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one is sourced from PubChem (CID 162820198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).