[(E)-hex-2-enyl] 2-methylpropanoate

C10H18O2 — CID 5352462

IUPAC[(E)-hex-2-enyl] 2-methylpropanoate
SMILESCCC/C=C/COC(=O)C(C)C
InChIInChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h6-7,9H,4-5,8H2,1-3H3/b7-6+
InChIKeyDSFNTAVCWZDPEB-VOTSOKGWSA-N
MW170.25 g/mol
LogP2.54
Rot. Bonds5

About [(E)-hex-2-enyl] 2-methylpropanoate

[(E)-hex-2-enyl] 2-methylpropanoate (PubChem CID 5352462) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(E)-hex-2-enyl] 2-methylpropanoate.

Molecular Properties

Compound Name[(E)-hex-2-enyl] 2-methylpropanoate
PubChem CID5352462
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(E)-hex-2-enyl] 2-methylpropanoate
SMILESCCC/C=C/COC(=O)C(C)C
InChIInChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h6-7,9H,4-5,8H2,1-3H3/b7-6+
InChIKeyDSFNTAVCWZDPEB-VOTSOKGWSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.54
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 [(E)-hex-2-enyl] 2-methylpropanoate?
The IUPAC name of [(E)-hex-2-enyl] 2-methylpropanoate (CID 5352462) is [(E)-hex-2-enyl] 2-methylpropanoate.
What is the SMILES notation for [(E)-hex-2-enyl] 2-methylpropanoate?
The canonical SMILES for [(E)-hex-2-enyl] 2-methylpropanoate is CCC/C=C/COC(=O)C(C)C.
What is the InChIKey of [(E)-hex-2-enyl] 2-methylpropanoate?
The InChIKey is DSFNTAVCWZDPEB-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h6-7,9H,4-5,8H2,1-3H3/b7-6+.
What are the key properties of [(E)-hex-2-enyl] 2-methylpropanoate?
[(E)-hex-2-enyl] 2-methylpropanoate has a molecular weight of 170.25 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl] 2-methylpropanoate is sourced from PubChem (CID 5352462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).