[(E)-10-methyltridec-11-enyl] propanoate

C17H32O2 — CID 5365029

IUPAC[(E)-10-methyltridec-11-enyl] propanoate
SMILESC/C=C/C(C)CCCCCCCCCOC(=O)CC
InChIInChI=1S/C17H32O2/c1-4-13-16(3)14-11-9-7-6-8-10-12-15-19-17(18)5-2/h4,13,16H,5-12,14-15H2,1-3H3/b13-4+
InChIKeyMNSWPRRRHUHTHI-YIXHJXPBSA-N
MW268.44 g/mol
LogP5.27
Rot. Bonds12

About [(E)-10-methyltridec-11-enyl] propanoate

[(E)-10-methyltridec-11-enyl] propanoate (PubChem CID 5365029) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is [(E)-10-methyltridec-11-enyl] propanoate.

Molecular Properties

Compound Name[(E)-10-methyltridec-11-enyl] propanoate
PubChem CID5365029
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name[(E)-10-methyltridec-11-enyl] propanoate
SMILESC/C=C/C(C)CCCCCCCCCOC(=O)CC
InChIInChI=1S/C17H32O2/c1-4-13-16(3)14-11-9-7-6-8-10-12-15-19-17(18)5-2/h4,13,16H,5-12,14-15H2,1-3H3/b13-4+
InChIKeyMNSWPRRRHUHTHI-YIXHJXPBSA-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 [(E)-10-methyltridec-11-enyl] propanoate?
The IUPAC name of [(E)-10-methyltridec-11-enyl] propanoate (CID 5365029) is [(E)-10-methyltridec-11-enyl] propanoate.
What is the SMILES notation for [(E)-10-methyltridec-11-enyl] propanoate?
The canonical SMILES for [(E)-10-methyltridec-11-enyl] propanoate is C/C=C/C(C)CCCCCCCCCOC(=O)CC.
What is the InChIKey of [(E)-10-methyltridec-11-enyl] propanoate?
The InChIKey is MNSWPRRRHUHTHI-YIXHJXPBSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-13-16(3)14-11-9-7-6-8-10-12-15-19-17(18)5-2/h4,13,16H,5-12,14-15H2,1-3H3/b13-4+.
What are the key properties of [(E)-10-methyltridec-11-enyl] propanoate?
[(E)-10-methyltridec-11-enyl] propanoate 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 [(E)-10-methyltridec-11-enyl] propanoate is sourced from PubChem (CID 5365029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).