5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one

C18H32O4 — CID 162891340

IUPAC5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one
SMILESC=CCCCCCCCCC1CC(CC(O)COC)C(=O)O1
InChIInChI=1S/C18H32O4/c1-3-4-5-6-7-8-9-10-11-17-13-15(18(20)22-17)12-16(19)14-21-2/h3,15-17,19H,1,4-14H2,2H3
InChIKeyIYLBDUAAFVBTME-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.62
Rot. Bonds13

About 5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one

5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one (PubChem CID 162891340) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one.

Molecular Properties

Compound Name5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one
PubChem CID162891340
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one
SMILESC=CCCCCCCCCC1CC(CC(O)COC)C(=O)O1
InChIInChI=1S/C18H32O4/c1-3-4-5-6-7-8-9-10-11-17-13-15(18(20)22-17)12-16(19)14-21-2/h3,15-17,19H,1,4-14H2,2H3
InChIKeyIYLBDUAAFVBTME-UHFFFAOYSA-N
XLogP3.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
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

Oropheolide
CID 44606075
Octadec-9-enoic acid 2-hydroxymethyl-5-oxo-tetrahydro-furan-2-ylmethyl ester
CID 10645267
5-[11-hydroxy-11-[5-[(Z)-1-hydroxypentadec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
CID 131751150
[2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl (E)-octadec-9-enoate
CID 44338782
Dendronpholide J
CID 44568406
Dendronpholide K
CID 44568451
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
Mosinone A
CID 44559057

Frequently Asked Questions

What is the IUPAC name of 5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one?
The IUPAC name of 5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one (CID 162891340) is 5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one.
What is the SMILES notation for 5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one?
The canonical SMILES for 5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one is C=CCCCCCCCCC1CC(CC(O)COC)C(=O)O1.
What is the InChIKey of 5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one?
The InChIKey is IYLBDUAAFVBTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-3-4-5-6-7-8-9-10-11-17-13-15(18(20)22-17)12-16(19)14-21-2/h3,15-17,19H,1,4-14H2,2H3.
What are the key properties of 5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one?
5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one has a molecular weight of 312.45 g/mol, XLogP of 3.62, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one is sourced from PubChem (CID 162891340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).