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

C12H20O2 — CID 87864145

IUPAC[(E)-hex-2-enyl] (E)-hex-3-enoate
SMILESCC/C=C/CC(=O)OC/C=C/CCC
InChIInChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h6-9H,3-5,10-11H2,1-2H3/b8-6+,9-7+
InChIKeyJNQWJWVBGRTRTA-CDJQDVQCSA-N
MW196.29 g/mol
LogP3.24
Rot. Bonds7

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

[(E)-hex-2-enyl] (E)-hex-3-enoate (PubChem CID 87864145) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(E)-hex-2-enyl] (E)-hex-3-enoate.

Molecular Properties

Compound Name[(E)-hex-2-enyl] (E)-hex-3-enoate
PubChem CID87864145
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[(E)-hex-2-enyl] (E)-hex-3-enoate
SMILESCC/C=C/CC(=O)OC/C=C/CCC
InChIInChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h6-9H,3-5,10-11H2,1-2H3/b8-6+,9-7+
InChIKeyJNQWJWVBGRTRTA-CDJQDVQCSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Geranyl Acetate
CID 1549026
cis-3-Hexenyl propionate
CID 5365049
Hexenyl tiglate, (3Z)-
CID 15461361
2-Hexenyl acetate, (2E)-
CID 2733294
Ethyl (E)-2-heptenoate
CID 5358363
Neryl acetate
CID 1549025
Geranyl butyrate
CID 5355856
Neryl butyrate
CID 5352162
trans-2-HEXENYL BUTYRATE
CID 5352461
2-Hexenyl propionate, (2E)-
CID 5352463
Ethyl trans-2-hexenoate
CID 5364778
Neryl propionate
CID 5365982

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl] (E)-hex-3-enoate?
The IUPAC name of [(E)-hex-2-enyl] (E)-hex-3-enoate (CID 87864145) is [(E)-hex-2-enyl] (E)-hex-3-enoate.
What is the SMILES notation for [(E)-hex-2-enyl] (E)-hex-3-enoate?
The canonical SMILES for [(E)-hex-2-enyl] (E)-hex-3-enoate is CC/C=C/CC(=O)OC/C=C/CCC.
What is the InChIKey of [(E)-hex-2-enyl] (E)-hex-3-enoate?
The InChIKey is JNQWJWVBGRTRTA-CDJQDVQCSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h6-9H,3-5,10-11H2,1-2H3/b8-6+,9-7+.
What are the key properties of [(E)-hex-2-enyl] (E)-hex-3-enoate?
[(E)-hex-2-enyl] (E)-hex-3-enoate has a molecular weight of 196.29 g/mol, XLogP of 3.24, 7 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)-hex-3-enoate is sourced from PubChem (CID 87864145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).