[(Z)-11-chloroundec-8-enyl] acetate

C13H23ClO2 — CID 163204757

IUPAC[(Z)-11-chloroundec-8-enyl] acetate
SMILESCC(=O)OCCCCCCC/C=C\CCCl
InChIInChI=1S/C13H23ClO2/c1-13(15)16-12-10-8-6-4-2-3-5-7-9-11-14/h5,7H,2-4,6,8-12H2,1H3/b7-5-
InChIKeyNJCWQRYFIWBUIX-ALCCZGGFSA-N
MW246.78 g/mol
LogP4.08
Rot. Bonds10

About [(Z)-11-chloroundec-8-enyl] acetate

[(Z)-11-chloroundec-8-enyl] acetate (PubChem CID 163204757) has the molecular formula C13H23ClO2 and a molecular weight of 246.78 g/mol. Its IUPAC name is [(Z)-11-chloroundec-8-enyl] acetate.

Molecular Properties

Compound Name[(Z)-11-chloroundec-8-enyl] acetate
PubChem CID163204757
Molecular FormulaC13H23ClO2
Molecular Weight246.78 g/mol
Exact Mass246.14
IUPAC Name[(Z)-11-chloroundec-8-enyl] acetate
SMILESCC(=O)OCCCCCCC/C=C\CCCl
InChIInChI=1S/C13H23ClO2/c1-13(15)16-12-10-8-6-4-2-3-5-7-9-11-14/h5,7H,2-4,6,8-12H2,1H3/b7-5-
InChIKeyNJCWQRYFIWBUIX-ALCCZGGFSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 54.08
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-8-chlorooct-5-enyl] acetate
CID 163204813
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
20-acetyloxyicos-11-enyl acetate
CID 537116
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(Z)-tridec-10-enyl] acetate
CID 13086957
octadec-8-enyl acetate
CID 538134
[(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 [(Z)-11-chloroundec-8-enyl] acetate?
The IUPAC name of [(Z)-11-chloroundec-8-enyl] acetate (CID 163204757) is [(Z)-11-chloroundec-8-enyl] acetate.
What is the SMILES notation for [(Z)-11-chloroundec-8-enyl] acetate?
The canonical SMILES for [(Z)-11-chloroundec-8-enyl] acetate is CC(=O)OCCCCCCC/C=C\CCCl.
What is the InChIKey of [(Z)-11-chloroundec-8-enyl] acetate?
The InChIKey is NJCWQRYFIWBUIX-ALCCZGGFSA-N. The full InChI is InChI=1S/C13H23ClO2/c1-13(15)16-12-10-8-6-4-2-3-5-7-9-11-14/h5,7H,2-4,6,8-12H2,1H3/b7-5-.
What are the key properties of [(Z)-11-chloroundec-8-enyl] acetate?
[(Z)-11-chloroundec-8-enyl] acetate has a molecular weight of 246.78 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-11-chloroundec-8-enyl] acetate is sourced from PubChem (CID 163204757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).