[(Z)-tridec-8-enyl] acetate

C15H28O2 — CID 10014538

IUPAC[(Z)-tridec-8-enyl] acetate
SMILESCCCC/C=C\CCCCCCCOC(C)=O
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h6-7H,3-5,8-14H2,1-2H3/b7-6-
InChIKeyPXLZBHTYUDYDTH-SREVYHEPSA-N
MW240.39 g/mol
LogP4.64
Rot. Bonds11

About [(Z)-tridec-8-enyl] acetate

[(Z)-tridec-8-enyl] acetate (PubChem CID 10014538) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(Z)-tridec-8-enyl] acetate.

Molecular Properties

Compound Name[(Z)-tridec-8-enyl] acetate
PubChem CID10014538
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[(Z)-tridec-8-enyl] acetate
SMILESCCCC/C=C\CCCCCCCOC(C)=O
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h6-7H,3-5,8-14H2,1-2H3/b7-6-
InChIKeyPXLZBHTYUDYDTH-SREVYHEPSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.64
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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Related Compounds

[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-dec-5-enyl] acetate
CID 5363513
hexadec-8-enyl acetate
CID 538136
octadec-8-enyl acetate
CID 538134
[(Z)-icos-11-enyl] acetate
CID 11493805
[(Z)-pentadec-7-enyl] acetate
CID 102286743
20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
[(3Z,13E)-octadeca-3,13-dienyl] acetate;[(Z)-tetradec-11-enyl] acetate
CID 162095329
[(9Z,12E)-octadeca-9,12-dienyl] acetate
CID 124514536
[(4E,9E)-tetradeca-4,9-dienyl] acetate
CID 87225023
[(Z)-dodec-7-enyl] acetate;(Z)-tetradec-9-enoic acid
CID 157118571

Frequently Asked Questions

What is the IUPAC name of [(Z)-tridec-8-enyl] acetate?
The IUPAC name of [(Z)-tridec-8-enyl] acetate (CID 10014538) is [(Z)-tridec-8-enyl] acetate.
What is the SMILES notation for [(Z)-tridec-8-enyl] acetate?
The canonical SMILES for [(Z)-tridec-8-enyl] acetate is CCCC/C=C\CCCCCCCOC(C)=O.
What is the InChIKey of [(Z)-tridec-8-enyl] acetate?
The InChIKey is PXLZBHTYUDYDTH-SREVYHEPSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h6-7H,3-5,8-14H2,1-2H3/b7-6-.
What are the key properties of [(Z)-tridec-8-enyl] acetate?
[(Z)-tridec-8-enyl] acetate has a molecular weight of 240.39 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-tridec-8-enyl] acetate is sourced from PubChem (CID 10014538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).