[3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate

C24H38O4 — CID 74051298

IUPAC[3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate
SMILESCC(=O)OC=CC(=COC(C)=O)CCC=C(C)CCC=C(C)CCCC(C)C
InChIInChI=1S/C24H38O4/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-24(18-28-23(6)26)16-17-27-22(5)25/h12,14,16-19H,7-11,13,15H2,1-6H3
InChIKeyRONBKDYTIJQQGC-UHFFFAOYSA-N
MW390.56 g/mol
LogP6.79
Rot. Bonds13

About [3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate

[3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate (PubChem CID 74051298) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is [3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate.

Molecular Properties

Compound Name[3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate
PubChem CID74051298
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name[3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate
SMILESCC(=O)OC=CC(=COC(C)=O)CCC=C(C)CCC=C(C)CCCC(C)C
InChIInChI=1S/C24H38O4/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-24(18-28-23(6)26)16-17-27-22(5)25/h12,14,16-19H,7-11,13,15H2,1-6H3
InChIKeyRONBKDYTIJQQGC-UHFFFAOYSA-N
XLogP6.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate with MolForge

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Related Compounds

[(10E,14E,15E)-16-acetyloxy-2,14-bis(acetyloxymethylidene)-6,10-dimethyl-4-oxohexadeca-10,15-dienyl] acetate
CID 23426643
magnesium;3,7,11-trimethyldodeca-2,6-diene;dichloride
CID 174246815
methyl (E,9R,13R)-5,9,13,17-tetramethyloctadec-4-enoate
CID 24840684
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181
[(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate
CID 24840687
1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one
CID 175351685
6,10-dimethylundec-5-en-2-ol
CID 57253097
1-chloro-4,8-dimethylnon-3-ene
CID 83163373
13-methyltetradec-1-enyl acetate
CID 90427101
[(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate
CID 24837759
(E)-2,2-dimethoxy-6,10-dimethylundec-5-ene
CID 23352870
(Z)-N,4,8-trimethylnon-3-en-1-amine
CID 83162608

Frequently Asked Questions

What is the IUPAC name of [3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate?
The IUPAC name of [3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate (CID 74051298) is [3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate.
What is the SMILES notation for [3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate?
The canonical SMILES for [3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate is CC(=O)OC=CC(=COC(C)=O)CCC=C(C)CCC=C(C)CCCC(C)C.
What is the InChIKey of [3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate?
The InChIKey is RONBKDYTIJQQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O4/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-24(18-28-23(6)26)16-17-27-22(5)25/h12,14,16-19H,7-11,13,15H2,1-6H3.
What are the key properties of [3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate?
[3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate has a molecular weight of 390.56 g/mol, XLogP of 6.79, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(acetyloxymethylidene)-7,11,15-trimethylhexadeca-1,6,10-trienyl] acetate is sourced from PubChem (CID 74051298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).