[(Z)-hex-2-enyl] butanoate

C10H18O2 — CID 5352466

IUPAC[(Z)-hex-2-enyl] butanoate
SMILESCCC/C=C\COC(=O)CCC
InChIInChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6-
InChIKeyPCGACKLJNBBQGM-SREVYHEPSA-N
MW170.25 g/mol
LogP2.69
Rot. Bonds6

About [(Z)-hex-2-enyl] butanoate

[(Z)-hex-2-enyl] butanoate (PubChem CID 5352466) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(Z)-hex-2-enyl] butanoate.

Molecular Properties

Compound Name[(Z)-hex-2-enyl] butanoate
PubChem CID5352466
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(Z)-hex-2-enyl] butanoate
SMILESCCC/C=C\COC(=O)CCC
InChIInChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6-
InChIKeyPCGACKLJNBBQGM-SREVYHEPSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-2-enyl] butanoate?
The IUPAC name of [(Z)-hex-2-enyl] butanoate (CID 5352466) is [(Z)-hex-2-enyl] butanoate.
What is the SMILES notation for [(Z)-hex-2-enyl] butanoate?
The canonical SMILES for [(Z)-hex-2-enyl] butanoate is CCC/C=C\COC(=O)CCC.
What is the InChIKey of [(Z)-hex-2-enyl] butanoate?
The InChIKey is PCGACKLJNBBQGM-SREVYHEPSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6-.
What are the key properties of [(Z)-hex-2-enyl] butanoate?
[(Z)-hex-2-enyl] butanoate has a molecular weight of 170.25 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-2-enyl] butanoate is sourced from PubChem (CID 5352466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).