5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one

C23H42O4 — CID 162957253

IUPAC5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one
SMILESC=CCCCCCCCCC1CC(CC(COC(C)C)OC(C)C)C(=O)O1
InChIInChI=1S/C23H42O4/c1-6-7-8-9-10-11-12-13-14-21-15-20(23(24)27-21)16-22(26-19(4)5)17-25-18(2)3/h6,18-22H,1,7-17H2,2-5H3
InChIKeyWSUJLSJWQGZXKI-UHFFFAOYSA-N
MW382.59 g/mol
LogP5.83
Rot. Bonds16

About 5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one

5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one (PubChem CID 162957253) has the molecular formula C23H42O4 and a molecular weight of 382.59 g/mol. Its IUPAC name is 5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one.

Molecular Properties

Compound Name5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one
PubChem CID162957253
Molecular FormulaC23H42O4
Molecular Weight382.59 g/mol
Exact Mass382.31
IUPAC Name5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one
SMILESC=CCCCCCCCCC1CC(CC(COC(C)C)OC(C)C)C(=O)O1
InChIInChI=1S/C23H42O4/c1-6-7-8-9-10-11-12-13-14-21-15-20(23(24)27-21)16-22(26-19(4)5)17-25-18(2)3/h6,18-22H,1,7-17H2,2-5H3
InChIKeyWSUJLSJWQGZXKI-UHFFFAOYSA-N
XLogP5.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 55.83
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
5-Dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one
CID 162820198
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

Frequently Asked Questions

What is the IUPAC name of 5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one?
The IUPAC name of 5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one (CID 162957253) is 5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one.
What is the SMILES notation for 5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one?
The canonical SMILES for 5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one is C=CCCCCCCCCC1CC(CC(COC(C)C)OC(C)C)C(=O)O1.
What is the InChIKey of 5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one?
The InChIKey is WSUJLSJWQGZXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O4/c1-6-7-8-9-10-11-12-13-14-21-15-20(23(24)27-21)16-22(26-19(4)5)17-25-18(2)3/h6,18-22H,1,7-17H2,2-5H3.
What are the key properties of 5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one?
5-dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one has a molecular weight of 382.59 g/mol, XLogP of 5.83, 16 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-di(propan-2-yloxy)propyl]oxolan-2-one is sourced from PubChem (CID 162957253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).