[(Z)-9-methylpentadec-10-enyl] acetate

C18H34O2 — CID 5364576

IUPAC[(Z)-9-methylpentadec-10-enyl] acetate
SMILESCCCC/C=C\C(C)CCCCCCCCOC(C)=O
InChIInChI=1S/C18H34O2/c1-4-5-6-11-14-17(2)15-12-9-7-8-10-13-16-20-18(3)19/h11,14,17H,4-10,12-13,15-16H2,1-3H3/b14-11-
InChIKeyNHHQQNYNXKSLMW-KAMYIIQDSA-N
MW282.47 g/mol
LogP5.66
Rot. Bonds13

About [(Z)-9-methylpentadec-10-enyl] acetate

[(Z)-9-methylpentadec-10-enyl] acetate (PubChem CID 5364576) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is [(Z)-9-methylpentadec-10-enyl] acetate.

Molecular Properties

Compound Name[(Z)-9-methylpentadec-10-enyl] acetate
PubChem CID5364576
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name[(Z)-9-methylpentadec-10-enyl] acetate
SMILESCCCC/C=C\C(C)CCCCCCCCOC(C)=O
InChIInChI=1S/C18H34O2/c1-4-5-6-11-14-17(2)15-12-9-7-8-10-13-16-20-18(3)19/h11,14,17H,4-10,12-13,15-16H2,1-3H3/b14-11-
InChIKeyNHHQQNYNXKSLMW-KAMYIIQDSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.66
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,8R)-8-methyldec-6-enyl] acetate
CID 134900865
[(E)-7-methylnon-5-enyl] acetate
CID 170849159
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-tridec-8-enyl] acetate
CID 10014538
[(Z)-dec-5-enyl] acetate
CID 5363513
7-methylhexadec-5-ene
CID 150059561
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
7-methyloct-5-enyl acetate
CID 146842876
[(4E,9E)-tetradeca-4,9-dienyl] acetate
CID 87225023

Frequently Asked Questions

What is the IUPAC name of [(Z)-9-methylpentadec-10-enyl] acetate?
The IUPAC name of [(Z)-9-methylpentadec-10-enyl] acetate (CID 5364576) is [(Z)-9-methylpentadec-10-enyl] acetate.
What is the SMILES notation for [(Z)-9-methylpentadec-10-enyl] acetate?
The canonical SMILES for [(Z)-9-methylpentadec-10-enyl] acetate is CCCC/C=C\C(C)CCCCCCCCOC(C)=O.
What is the InChIKey of [(Z)-9-methylpentadec-10-enyl] acetate?
The InChIKey is NHHQQNYNXKSLMW-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-5-6-11-14-17(2)15-12-9-7-8-10-13-16-20-18(3)19/h11,14,17H,4-10,12-13,15-16H2,1-3H3/b14-11-.
What are the key properties of [(Z)-9-methylpentadec-10-enyl] acetate?
[(Z)-9-methylpentadec-10-enyl] acetate has a molecular weight of 282.47 g/mol, XLogP of 5.66, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-9-methylpentadec-10-enyl] acetate is sourced from PubChem (CID 5364576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).