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

C16H28O2 — CID 56935980

IUPAC[(Z)-dec-3-enyl] (E)-hex-2-enoate
SMILESCCC/C=C/C(=O)OCC/C=C\CCCCCC
InChIInChI=1S/C16H28O2/c1-3-5-7-8-9-10-11-13-15-18-16(17)14-12-6-4-2/h10-12,14H,3-9,13,15H2,1-2H3/b11-10-,14-12+
InChIKeyREWWHOJLOGWTAG-HSINTONASA-N
MW252.40 g/mol
LogP4.80
Rot. Bonds11

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

[(Z)-dec-3-enyl] (E)-hex-2-enoate (PubChem CID 56935980) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [(Z)-dec-3-enyl] (E)-hex-2-enoate.

Molecular Properties

Compound Name[(Z)-dec-3-enyl] (E)-hex-2-enoate
PubChem CID56935980
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[(Z)-dec-3-enyl] (E)-hex-2-enoate
SMILESCCC/C=C/C(=O)OCC/C=C\CCCCCC
InChIInChI=1S/C16H28O2/c1-3-5-7-8-9-10-11-13-15-18-16(17)14-12-6-4-2/h10-12,14H,3-9,13,15H2,1-2H3/b11-10-,14-12+
InChIKeyREWWHOJLOGWTAG-HSINTONASA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.80
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)-dec-3-enyl] (E)-hex-2-enoate?
The IUPAC name of [(Z)-dec-3-enyl] (E)-hex-2-enoate (CID 56935980) is [(Z)-dec-3-enyl] (E)-hex-2-enoate.
What is the SMILES notation for [(Z)-dec-3-enyl] (E)-hex-2-enoate?
The canonical SMILES for [(Z)-dec-3-enyl] (E)-hex-2-enoate is CCC/C=C/C(=O)OCC/C=C\CCCCCC.
What is the InChIKey of [(Z)-dec-3-enyl] (E)-hex-2-enoate?
The InChIKey is REWWHOJLOGWTAG-HSINTONASA-N. The full InChI is InChI=1S/C16H28O2/c1-3-5-7-8-9-10-11-13-15-18-16(17)14-12-6-4-2/h10-12,14H,3-9,13,15H2,1-2H3/b11-10-,14-12+.
What are the key properties of [(Z)-dec-3-enyl] (E)-hex-2-enoate?
[(Z)-dec-3-enyl] (E)-hex-2-enoate has a molecular weight of 252.40 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-dec-3-enyl] (E)-hex-2-enoate is sourced from PubChem (CID 56935980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).