[(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate

C24H28O4 — CID 66559815

IUPAC[(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate
SMILESCC(=O)OC(C/C=C/CCCC(OC(C)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O4/c1-19(25)27-23(21-13-7-5-8-14-21)17-11-3-4-12-18-24(28-20(2)26)22-15-9-6-10-16-22/h3,5-11,13-16,23-24H,4,12,17-18H2,1-2H3/b11-3+
InChIKeyOIXQESJDYWDLPR-QDEBKDIKSA-N
MW380.48 g/mol
LogP5.71
Rot. Bonds10

About [(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate

[(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate (PubChem CID 66559815) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is [(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate.

Molecular Properties

Compound Name[(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate
PubChem CID66559815
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name[(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate
SMILESCC(=O)OC(C/C=C/CCCC(OC(C)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O4/c1-19(25)27-23(21-13-7-5-8-14-21)17-11-3-4-12-18-24(28-20(2)26)22-15-9-6-10-16-22/h3,5-11,13-16,23-24H,4,12,17-18H2,1-2H3/b11-3+
InChIKeyOIXQESJDYWDLPR-QDEBKDIKSA-N
XLogP5.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.71
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

[(1S)-1-phenylpentyl] acetate
CID 12651064
[4-(methylamino)-4-oxo-1-phenylbutyl] acetate
CID 71678078
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
3-acetyloxy-3-phenylpropanoic acid;1,1'-biphenyl
CID 19790806
[(Z)-1-phenylpent-3-enyl] benzoate
CID 15142799
[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
CID 54509010
[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate
CID 22297806
methyl (E)-15-acetyloxy-6,9,12-tris[[tert-butyl(dimethyl)silyl]oxy]-15-phenylpentadec-2-enoate
CID 101438914
[2-(tert-butylamino)-1-phenylethyl] acetate
CID 174893597
methyl 7-acetyloxy-4-hydroxy-7-phenylhept-2-ynoate
CID 101438911
bis(1-phenyloctyl) carbonate
CID 67179048
[(E)-11-hydroxy-7-oxo-1-phenylundec-2-enyl] acetate
CID 135077924

Frequently Asked Questions

What is the IUPAC name of [(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate?
The IUPAC name of [(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate (CID 66559815) is [(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate.
What is the SMILES notation for [(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate?
The canonical SMILES for [(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate is CC(=O)OC(C/C=C/CCCC(OC(C)=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate?
The InChIKey is OIXQESJDYWDLPR-QDEBKDIKSA-N. The full InChI is InChI=1S/C24H28O4/c1-19(25)27-23(21-13-7-5-8-14-21)17-11-3-4-12-18-24(28-20(2)26)22-15-9-6-10-16-22/h3,5-11,13-16,23-24H,4,12,17-18H2,1-2H3/b11-3+.
What are the key properties of [(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate?
[(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate has a molecular weight of 380.48 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate is sourced from PubChem (CID 66559815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).