[(Z)-7-methyltetradec-8-enyl] acetate

C17H32O2 — CID 5363222

IUPAC[(Z)-7-methyltetradec-8-enyl] acetate
SMILESCCCCC/C=C\C(C)CCCCCCOC(C)=O
InChIInChI=1S/C17H32O2/c1-4-5-6-7-10-13-16(2)14-11-8-9-12-15-19-17(3)18/h10,13,16H,4-9,11-12,14-15H2,1-3H3/b13-10-
InChIKeyIUOFQMYQDUARQU-RAXLEYEMSA-N
MW268.44 g/mol
LogP5.27
Rot. Bonds12

About [(Z)-7-methyltetradec-8-enyl] acetate

[(Z)-7-methyltetradec-8-enyl] acetate (PubChem CID 5363222) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is [(Z)-7-methyltetradec-8-enyl] acetate.

Molecular Properties

Compound Name[(Z)-7-methyltetradec-8-enyl] acetate
PubChem CID5363222
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name[(Z)-7-methyltetradec-8-enyl] acetate
SMILESCCCCC/C=C\C(C)CCCCCCOC(C)=O
InChIInChI=1S/C17H32O2/c1-4-5-6-7-10-13-16(2)14-11-8-9-12-15-19-17(3)18/h10,13,16H,4-9,11-12,14-15H2,1-3H3/b13-10-
InChIKeyIUOFQMYQDUARQU-RAXLEYEMSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-7-methyltetradec-8-enyl] acetate?
The IUPAC name of [(Z)-7-methyltetradec-8-enyl] acetate (CID 5363222) is [(Z)-7-methyltetradec-8-enyl] acetate.
What is the SMILES notation for [(Z)-7-methyltetradec-8-enyl] acetate?
The canonical SMILES for [(Z)-7-methyltetradec-8-enyl] acetate is CCCCC/C=C\C(C)CCCCCCOC(C)=O.
What is the InChIKey of [(Z)-7-methyltetradec-8-enyl] acetate?
The InChIKey is IUOFQMYQDUARQU-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-5-6-7-10-13-16(2)14-11-8-9-12-15-19-17(3)18/h10,13,16H,4-9,11-12,14-15H2,1-3H3/b13-10-.
What are the key properties of [(Z)-7-methyltetradec-8-enyl] acetate?
[(Z)-7-methyltetradec-8-enyl] acetate has a molecular weight of 268.44 g/mol, XLogP of 5.27, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-7-methyltetradec-8-enyl] acetate is sourced from PubChem (CID 5363222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).