heptadeca-14,16-dien-7-yl acetate

C19H34O2 — CID 145415265

IUPACheptadeca-14,16-dien-7-yl acetate
SMILESC=CC=CCCCCCCC(CCCCCC)OC(C)=O
InChIInChI=1S/C19H34O2/c1-4-6-8-10-11-12-13-15-17-19(21-18(3)20)16-14-9-7-5-2/h4,6,8,19H,1,5,7,9-17H2,2-3H3
InChIKeyYLDRLQRRWCTBON-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.97
Rot. Bonds14

About heptadeca-14,16-dien-7-yl acetate

heptadeca-14,16-dien-7-yl acetate (PubChem CID 145415265) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is heptadeca-14,16-dien-7-yl acetate.

Molecular Properties

Compound Nameheptadeca-14,16-dien-7-yl acetate
PubChem CID145415265
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Nameheptadeca-14,16-dien-7-yl acetate
SMILESC=CC=CCCCCCCC(CCCCCC)OC(C)=O
InChIInChI=1S/C19H34O2/c1-4-6-8-10-11-12-13-15-17-19(21-18(3)20)16-14-9-7-5-2/h4,6,8,19H,1,5,7,9-17H2,2-3H3
InChIKeyYLDRLQRRWCTBON-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

octadeca-15,17-dien-6-yl acetate
CID 54472757
[(11Z)-tetradeca-11,13-dien-7-yl] acetate
CID 176893926
icos-13-en-10-yl acetate
CID 175361590
[(E)-pentacos-11-en-8-yl] acetate
CID 126648537
[(Z)-1-hydroxytetradec-1-en-7-yl] acetate
CID 175011944
[(13E,15E)-18-oxononadeca-13,15-dien-5-yl] acetate
CID 57435746
[(11E,13E)-18-oxononadeca-11,13-dien-7-yl] acetate
CID 57435742
tetradec-10-en-5-yl acetate
CID 54019946
18-oxononadec-11-en-7-yl acetate
CID 76539164
acetic acid;(13E)-hexadeca-13,15-dien-6-ol
CID 175333798
18-oxononadeca-9,11-dien-7-yl acetate
CID 76539171
nonacosa-1,28-dien-15-yl acetate
CID 101064980

Frequently Asked Questions

What is the IUPAC name of heptadeca-14,16-dien-7-yl acetate?
The IUPAC name of heptadeca-14,16-dien-7-yl acetate (CID 145415265) is heptadeca-14,16-dien-7-yl acetate.
What is the SMILES notation for heptadeca-14,16-dien-7-yl acetate?
The canonical SMILES for heptadeca-14,16-dien-7-yl acetate is C=CC=CCCCCCCC(CCCCCC)OC(C)=O.
What is the InChIKey of heptadeca-14,16-dien-7-yl acetate?
The InChIKey is YLDRLQRRWCTBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-4-6-8-10-11-12-13-15-17-19(21-18(3)20)16-14-9-7-5-2/h4,6,8,19H,1,5,7,9-17H2,2-3H3.
What are the key properties of heptadeca-14,16-dien-7-yl acetate?
heptadeca-14,16-dien-7-yl 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-14,16-dien-7-yl acetate is sourced from PubChem (CID 145415265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).