heptadeca-9,11-dienyl acetate

C19H34O2 — CID 168861599

IUPACheptadeca-9,11-dienyl acetate
SMILESCCCCCC=CC=CCCCCCCCCOC(C)=O
InChIInChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h7-10H,3-6,11-18H2,1-2H3
InChIKeyWGONQVADYSCGON-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.97
Rot. Bonds14

About heptadeca-9,11-dienyl acetate

heptadeca-9,11-dienyl acetate (PubChem CID 168861599) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is heptadeca-9,11-dienyl acetate.

Molecular Properties

Compound Nameheptadeca-9,11-dienyl acetate
PubChem CID168861599
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Nameheptadeca-9,11-dienyl acetate
SMILESCCCCCC=CC=CCCCCCCCCOC(C)=O
InChIInChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h7-10H,3-6,11-18H2,1-2H3
InChIKeyWGONQVADYSCGON-UHFFFAOYSA-N
XLogP5.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(4Z,6Z)-hexadeca-4,6-dienyl] acetate
CID 91751116
[(Z)-icos-11-enyl] acetate
CID 11493805
[(Z)-pentadec-7-enyl] acetate
CID 102286743
octadec-8-enyl acetate
CID 538134
hexadec-8-enyl acetate
CID 538136
[(5Z,7E)-dodeca-5,7-dienyl] acetate;(9E,11Z)-hexadeca-9,11-dienal
CID 158183525
[(9Z,11E)-tetradeca-9,11-dienyl] acetate
CID 6441057
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-tridec-8-enyl] acetate
CID 10014538
[(9Z,12E)-octadeca-9,12-dienyl] acetate
CID 124514536
[(Z)-dec-5-enyl] acetate
CID 5363513
acetic acid;[(11E,13Z)-hexadeca-11,13-dienyl] acetate
CID 162316436

Frequently Asked Questions

What is the IUPAC name of heptadeca-9,11-dienyl acetate?
The IUPAC name of heptadeca-9,11-dienyl acetate (CID 168861599) is heptadeca-9,11-dienyl acetate.
What is the SMILES notation for heptadeca-9,11-dienyl acetate?
The canonical SMILES for heptadeca-9,11-dienyl acetate is CCCCCC=CC=CCCCCCCCCOC(C)=O.
What is the InChIKey of heptadeca-9,11-dienyl acetate?
The InChIKey is WGONQVADYSCGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h7-10H,3-6,11-18H2,1-2H3.
What are the key properties of heptadeca-9,11-dienyl acetate?
heptadeca-9,11-dienyl acetate has a molecular weight of 294.48 g/mol, XLogP of 5.97, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-9,11-dienyl acetate is sourced from PubChem (CID 168861599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).