[(E)-14-iodotetradec-11-enyl] acetate

C16H29IO2 — CID 163205043

IUPAC[(E)-14-iodotetradec-11-enyl] acetate
SMILESCC(=O)OCCCCCCCCCC/C=C/CCI
InChIInChI=1S/C16H29IO2/c1-16(18)19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-17/h8,10H,2-7,9,11-15H2,1H3/b10-8+
InChIKeyORIPEYXIXHEVCO-CSKARUKUSA-N
MW380.31 g/mol
LogP5.44
Rot. Bonds13

About [(E)-14-iodotetradec-11-enyl] acetate

[(E)-14-iodotetradec-11-enyl] acetate (PubChem CID 163205043) has the molecular formula C16H29IO2 and a molecular weight of 380.31 g/mol. Its IUPAC name is [(E)-14-iodotetradec-11-enyl] acetate.

Molecular Properties

Compound Name[(E)-14-iodotetradec-11-enyl] acetate
PubChem CID163205043
Molecular FormulaC16H29IO2
Molecular Weight380.31 g/mol
Exact Mass380.12
IUPAC Name[(E)-14-iodotetradec-11-enyl] acetate
SMILESCC(=O)OCCCCCCCCCC/C=C/CCI
InChIInChI=1S/C16H29IO2/c1-16(18)19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-17/h8,10H,2-7,9,11-15H2,1H3/b10-8+
InChIKeyORIPEYXIXHEVCO-CSKARUKUSA-N
XLogP5.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.31
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
[(E)-8-iodooct-7-enyl] acetate
CID 14157625
octadec-8-enyl acetate
CID 538134
[(Z)-tridec-10-enyl] acetate
CID 13086957
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-tridec-8-enyl] acetate
CID 10014538
hexadec-8-enyl acetate
CID 538136
[(Z)-icos-11-enyl] acetate
CID 11493805
[(Z)-pentadec-7-enyl] acetate
CID 102286743

Frequently Asked Questions

What is the IUPAC name of [(E)-14-iodotetradec-11-enyl] acetate?
The IUPAC name of [(E)-14-iodotetradec-11-enyl] acetate (CID 163205043) is [(E)-14-iodotetradec-11-enyl] acetate.
What is the SMILES notation for [(E)-14-iodotetradec-11-enyl] acetate?
The canonical SMILES for [(E)-14-iodotetradec-11-enyl] acetate is CC(=O)OCCCCCCCCCC/C=C/CCI.
What is the InChIKey of [(E)-14-iodotetradec-11-enyl] acetate?
The InChIKey is ORIPEYXIXHEVCO-CSKARUKUSA-N. The full InChI is InChI=1S/C16H29IO2/c1-16(18)19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-17/h8,10H,2-7,9,11-15H2,1H3/b10-8+.
What are the key properties of [(E)-14-iodotetradec-11-enyl] acetate?
[(E)-14-iodotetradec-11-enyl] acetate has a molecular weight of 380.31 g/mol, XLogP of 5.44, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-14-iodotetradec-11-enyl] acetate is sourced from PubChem (CID 163205043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).