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

C11H18O2 — CID 5353010

IUPAC[(E)-hex-2-enyl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OC/C=C/CCC
InChIInChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5,7-8H,4,6,9H2,1-3H3/b8-7+,10-5+
InChIKeyUEDNMMNLPZRYMI-LZIZUESTSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds5

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

[(E)-hex-2-enyl] (E)-2-methylbut-2-enoate (PubChem CID 5353010) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(E)-hex-2-enyl] (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name[(E)-hex-2-enyl] (E)-2-methylbut-2-enoate
PubChem CID5353010
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(E)-hex-2-enyl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OC/C=C/CCC
InChIInChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5,7-8H,4,6,9H2,1-3H3/b8-7+,10-5+
InChIKeyUEDNMMNLPZRYMI-LZIZUESTSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-2-methylbut-2-enoate?
The IUPAC name of [(E)-hex-2-enyl] (E)-2-methylbut-2-enoate (CID 5353010) is [(E)-hex-2-enyl] (E)-2-methylbut-2-enoate.
What is the SMILES notation for [(E)-hex-2-enyl] (E)-2-methylbut-2-enoate?
The canonical SMILES for [(E)-hex-2-enyl] (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)OC/C=C/CCC.
What is the InChIKey of [(E)-hex-2-enyl] (E)-2-methylbut-2-enoate?
The InChIKey is UEDNMMNLPZRYMI-LZIZUESTSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5,7-8H,4,6,9H2,1-3H3/b8-7+,10-5+.
What are the key properties of [(E)-hex-2-enyl] (E)-2-methylbut-2-enoate?
[(E)-hex-2-enyl] (E)-2-methylbut-2-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.85, 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] (E)-2-methylbut-2-enoate is sourced from PubChem (CID 5353010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).