8-acetyloxyocta-5,7-dienyl acetate

C12H18O4 — CID 173275738

IUPAC8-acetyloxyocta-5,7-dienyl acetate
SMILESCC(=O)OC=CC=CCCCCOC(C)=O
InChIInChI=1S/C12H18O4/c1-11(13)15-9-7-5-3-4-6-8-10-16-12(2)14/h3,5,7,9H,4,6,8,10H2,1-2H3
InChIKeyYNUDGDQKLSLPSQ-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.35
Rot. Bonds7

About 8-acetyloxyocta-5,7-dienyl acetate

8-acetyloxyocta-5,7-dienyl acetate (PubChem CID 173275738) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 8-acetyloxyocta-5,7-dienyl acetate.

Molecular Properties

Compound Name8-acetyloxyocta-5,7-dienyl acetate
PubChem CID173275738
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name8-acetyloxyocta-5,7-dienyl acetate
SMILESCC(=O)OC=CC=CCCCCOC(C)=O
InChIInChI=1S/C12H18O4/c1-11(13)15-9-7-5-3-4-6-8-10-16-12(2)14/h3,5,7,9H,4,6,8,10H2,1-2H3
InChIKeyYNUDGDQKLSLPSQ-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(9Z,11E)-tetradeca-9,11-dienyl] acetate
CID 6441057
heptadeca-9,11-dienyl acetate
CID 168861599
20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
[(1E,3E)-heptadeca-1,3-dienyl] acetate
CID 135332225
[(1Z)-hexadeca-1,3-dienyl] acetate
CID 154504226
octa-1,3-dienyl acetate
CID 54107935
acetic acid;[(11E,13Z)-hexadeca-11,13-dienyl] acetate
CID 162316436
[(4Z,6Z)-hexadeca-4,6-dienyl] acetate
CID 91751116
[(Z)-8-chlorooct-5-enyl] acetate
CID 163204813
tetradeca-4,6,13-trienyl acetate
CID 162896966
[(5Z,7E)-dodeca-5,7-dienyl] acetate;(9E,11Z)-hexadeca-9,11-dienal
CID 158183525

Frequently Asked Questions

What is the IUPAC name of 8-acetyloxyocta-5,7-dienyl acetate?
The IUPAC name of 8-acetyloxyocta-5,7-dienyl acetate (CID 173275738) is 8-acetyloxyocta-5,7-dienyl acetate.
What is the SMILES notation for 8-acetyloxyocta-5,7-dienyl acetate?
The canonical SMILES for 8-acetyloxyocta-5,7-dienyl acetate is CC(=O)OC=CC=CCCCCOC(C)=O.
What is the InChIKey of 8-acetyloxyocta-5,7-dienyl acetate?
The InChIKey is YNUDGDQKLSLPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-11(13)15-9-7-5-3-4-6-8-10-16-12(2)14/h3,5,7,9H,4,6,8,10H2,1-2H3.
What are the key properties of 8-acetyloxyocta-5,7-dienyl acetate?
8-acetyloxyocta-5,7-dienyl acetate has a molecular weight of 226.27 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyloxyocta-5,7-dienyl acetate is sourced from PubChem (CID 173275738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).