octadeca-15,17-dien-6-yl acetate

C20H36O2 — CID 54472757

IUPACoctadeca-15,17-dien-6-yl acetate
SMILESC=CC=CCCCCCCCCC(CCCCC)OC(C)=O
InChIInChI=1S/C20H36O2/c1-4-6-8-9-10-11-12-13-14-16-18-20(22-19(3)21)17-15-7-5-2/h4,6,8,20H,1,5,7,9-18H2,2-3H3
InChIKeyXJLOYEZFOKVQNO-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.36
Rot. Bonds15

About octadeca-15,17-dien-6-yl acetate

octadeca-15,17-dien-6-yl acetate (PubChem CID 54472757) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is octadeca-15,17-dien-6-yl acetate.

Molecular Properties

Compound Nameoctadeca-15,17-dien-6-yl acetate
PubChem CID54472757
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Nameoctadeca-15,17-dien-6-yl acetate
SMILESC=CC=CCCCCCCCCC(CCCCC)OC(C)=O
InChIInChI=1S/C20H36O2/c1-4-6-8-9-10-11-12-13-14-16-18-20(22-19(3)21)17-15-7-5-2/h4,6,8,20H,1,5,7,9-18H2,2-3H3
InChIKeyXJLOYEZFOKVQNO-UHFFFAOYSA-N
XLogP6.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.36
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

heptadeca-14,16-dien-7-yl acetate
CID 145415265
[(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 octadeca-15,17-dien-6-yl acetate?
The IUPAC name of octadeca-15,17-dien-6-yl acetate (CID 54472757) is octadeca-15,17-dien-6-yl acetate.
What is the SMILES notation for octadeca-15,17-dien-6-yl acetate?
The canonical SMILES for octadeca-15,17-dien-6-yl acetate is C=CC=CCCCCCCCCC(CCCCC)OC(C)=O.
What is the InChIKey of octadeca-15,17-dien-6-yl acetate?
The InChIKey is XJLOYEZFOKVQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-4-6-8-9-10-11-12-13-14-16-18-20(22-19(3)21)17-15-7-5-2/h4,6,8,20H,1,5,7,9-18H2,2-3H3.
What are the key properties of octadeca-15,17-dien-6-yl acetate?
octadeca-15,17-dien-6-yl acetate has a molecular weight of 308.51 g/mol, XLogP of 6.36, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadeca-15,17-dien-6-yl acetate is sourced from PubChem (CID 54472757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).