[(E)-hex-2-enyl] (E)-oct-2-enoate

C14H24O2 — CID 5364537

IUPAC[(E)-hex-2-enyl] (E)-oct-2-enoate
SMILESCCC/C=C/COC(=O)/C=C/CCCCC
InChIInChI=1S/C14H24O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h8,10-12H,3-7,9,13H2,1-2H3/b11-8+,12-10+
InChIKeyUKRCZEFGDLZNQH-TXSAMIJNSA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds9

About [(E)-hex-2-enyl] (E)-oct-2-enoate

[(E)-hex-2-enyl] (E)-oct-2-enoate (PubChem CID 5364537) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [(E)-hex-2-enyl] (E)-oct-2-enoate.

Molecular Properties

Compound Name[(E)-hex-2-enyl] (E)-oct-2-enoate
PubChem CID5364537
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[(E)-hex-2-enyl] (E)-oct-2-enoate
SMILESCCC/C=C/COC(=O)/C=C/CCCCC
InChIInChI=1S/C14H24O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h8,10-12H,3-7,9,13H2,1-2H3/b11-8+,12-10+
InChIKeyUKRCZEFGDLZNQH-TXSAMIJNSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.02
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 [(E)-hex-2-enyl] (E)-oct-2-enoate?
The IUPAC name of [(E)-hex-2-enyl] (E)-oct-2-enoate (CID 5364537) is [(E)-hex-2-enyl] (E)-oct-2-enoate.
What is the SMILES notation for [(E)-hex-2-enyl] (E)-oct-2-enoate?
The canonical SMILES for [(E)-hex-2-enyl] (E)-oct-2-enoate is CCC/C=C/COC(=O)/C=C/CCCCC.
What is the InChIKey of [(E)-hex-2-enyl] (E)-oct-2-enoate?
The InChIKey is UKRCZEFGDLZNQH-TXSAMIJNSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h8,10-12H,3-7,9,13H2,1-2H3/b11-8+,12-10+.
What are the key properties of [(E)-hex-2-enyl] (E)-oct-2-enoate?
[(E)-hex-2-enyl] (E)-oct-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl] (E)-oct-2-enoate is sourced from PubChem (CID 5364537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).