[(Z)-hexadec-11-enyl] formate

C17H32O2 — CID 56935995

IUPAC[(Z)-hexadec-11-enyl] formate
SMILESCCCC/C=C\CCCCCCCCCCOC=O
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18/h5-6,17H,2-4,7-16H2,1H3/b6-5-
InChIKeyICMRKBGNISBFNF-WAYWQWQTSA-N
MW268.44 g/mol
LogP5.42
Rot. Bonds15

About [(Z)-hexadec-11-enyl] formate

[(Z)-hexadec-11-enyl] formate (PubChem CID 56935995) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is [(Z)-hexadec-11-enyl] formate.

Molecular Properties

Compound Name[(Z)-hexadec-11-enyl] formate
PubChem CID56935995
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name[(Z)-hexadec-11-enyl] formate
SMILESCCCC/C=C\CCCCCCCCCCOC=O
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18/h5-6,17H,2-4,7-16H2,1H3/b6-5-
InChIKeyICMRKBGNISBFNF-WAYWQWQTSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-Tetradecenyl acetate, (11E)-
CID 5367650
11-Tetradecenyl acetate, (11Z)-
CID 5367692
(Z)-9-Tetradecenyl acetate
CID 5364714
9,12-Tetradecadien-1-ol, 1-acetate, (9E,12Z)-
CID 6436633
Gossyplure
CID 5363265
11-Hexadecenyl acetate, (11Z)-
CID 5364711
8-Dodecenyl acetate, (8E)-
CID 5363237
8-Dodecen-1-ol, 1-acetate, (8Z)-
CID 5363377
9-Dodecenyl acetate, (9Z)-
CID 5363405
Gossyplure, (Z,E)-
CID 6436029
Oleyl acetate
CID 5363289
7-Tetradecen-1-ol, 1-acetate, (7Z)-
CID 5363386

Frequently Asked Questions

What is the IUPAC name of [(Z)-hexadec-11-enyl] formate?
The IUPAC name of [(Z)-hexadec-11-enyl] formate (CID 56935995) is [(Z)-hexadec-11-enyl] formate.
What is the SMILES notation for [(Z)-hexadec-11-enyl] formate?
The canonical SMILES for [(Z)-hexadec-11-enyl] formate is CCCC/C=C\CCCCCCCCCCOC=O.
What is the InChIKey of [(Z)-hexadec-11-enyl] formate?
The InChIKey is ICMRKBGNISBFNF-WAYWQWQTSA-N. The full InChI is InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18/h5-6,17H,2-4,7-16H2,1H3/b6-5-.
What are the key properties of [(Z)-hexadec-11-enyl] formate?
[(Z)-hexadec-11-enyl] formate has a molecular weight of 268.44 g/mol, XLogP of 5.42, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hexadec-11-enyl] formate is sourced from PubChem (CID 56935995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).