[(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate

C10H14O2 — CID 20567333

IUPAC[(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC/C=C/C=C/C
InChIInChI=1S/C10H14O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-7H,2,8H2,1,3H3/b5-4+,7-6+
InChIKeyUXIIXMDSICWXML-YTXTXJHMSA-N
MW166.22 g/mol
LogP2.24
Rot. Bonds4

About [(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate

[(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate (PubChem CID 20567333) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is [(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate
PubChem CID20567333
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name[(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC/C=C/C=C/C
InChIInChI=1S/C10H14O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-7H,2,8H2,1,3H3/b5-4+,7-6+
InChIKeyUXIIXMDSICWXML-YTXTXJHMSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate?
The IUPAC name of [(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate (CID 20567333) is [(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate?
The canonical SMILES for [(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC/C=C/C=C/C.
What is the InChIKey of [(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate?
The InChIKey is UXIIXMDSICWXML-YTXTXJHMSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-7H,2,8H2,1,3H3/b5-4+,7-6+.
What are the key properties of [(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate?
[(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate has a molecular weight of 166.22 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-hexa-2,4-dienyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20567333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).