[(Z)-non-3-enyl] (E)-hex-2-enoate

C15H26O2 — CID 56936014

IUPAC[(Z)-non-3-enyl] (E)-hex-2-enoate
SMILESCCC/C=C/C(=O)OCC/C=C\CCCCC
InChIInChI=1S/C15H26O2/c1-3-5-7-8-9-10-12-14-17-15(16)13-11-6-4-2/h9-11,13H,3-8,12,14H2,1-2H3/b10-9-,13-11+
InChIKeyZBOHTTYDVIINPB-AZQRDTPRSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds10

About [(Z)-non-3-enyl] (E)-hex-2-enoate

[(Z)-non-3-enyl] (E)-hex-2-enoate (PubChem CID 56936014) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(Z)-non-3-enyl] (E)-hex-2-enoate.

Molecular Properties

Compound Name[(Z)-non-3-enyl] (E)-hex-2-enoate
PubChem CID56936014
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(Z)-non-3-enyl] (E)-hex-2-enoate
SMILESCCC/C=C/C(=O)OCC/C=C\CCCCC
InChIInChI=1S/C15H26O2/c1-3-5-7-8-9-10-12-14-17-15(16)13-11-6-4-2/h9-11,13H,3-8,12,14H2,1-2H3/b10-9-,13-11+
InChIKeyZBOHTTYDVIINPB-AZQRDTPRSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-non-3-enyl] (E)-hex-2-enoate?
The IUPAC name of [(Z)-non-3-enyl] (E)-hex-2-enoate (CID 56936014) is [(Z)-non-3-enyl] (E)-hex-2-enoate.
What is the SMILES notation for [(Z)-non-3-enyl] (E)-hex-2-enoate?
The canonical SMILES for [(Z)-non-3-enyl] (E)-hex-2-enoate is CCC/C=C/C(=O)OCC/C=C\CCCCC.
What is the InChIKey of [(Z)-non-3-enyl] (E)-hex-2-enoate?
The InChIKey is ZBOHTTYDVIINPB-AZQRDTPRSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-7-8-9-10-12-14-17-15(16)13-11-6-4-2/h9-11,13H,3-8,12,14H2,1-2H3/b10-9-,13-11+.
What are the key properties of [(Z)-non-3-enyl] (E)-hex-2-enoate?
[(Z)-non-3-enyl] (E)-hex-2-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-non-3-enyl] (E)-hex-2-enoate is sourced from PubChem (CID 56936014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).