[(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate

C16H26O2 — CID 141473258

IUPAC[(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate
SMILESC=C/C=C/C(OC(=O)C(=C)C)C(CC)CCCC
InChIInChI=1S/C16H26O2/c1-6-9-11-14(8-3)15(12-10-7-2)18-16(17)13(4)5/h7,10,12,14-15H,2,4,6,8-9,11H2,1,3,5H3/b12-10+
InChIKeyBWEFVPUHQSBCNQ-ZRDIBKRKSA-N
MW250.38 g/mol
LogP4.43
Rot. Bonds9

About [(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate

[(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate (PubChem CID 141473258) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is [(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate
PubChem CID141473258
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name[(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate
SMILESC=C/C=C/C(OC(=O)C(=C)C)C(CC)CCCC
InChIInChI=1S/C16H26O2/c1-6-9-11-14(8-3)15(12-10-7-2)18-16(17)13(4)5/h7,10,12,14-15H,2,4,6,8-9,11H2,1,3,5H3/b12-10+
InChIKeyBWEFVPUHQSBCNQ-ZRDIBKRKSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.43
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 [(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate?
The IUPAC name of [(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate (CID 141473258) is [(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate?
The canonical SMILES for [(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate is C=C/C=C/C(OC(=O)C(=C)C)C(CC)CCCC.
What is the InChIKey of [(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate?
The InChIKey is BWEFVPUHQSBCNQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-9-11-14(8-3)15(12-10-7-2)18-16(17)13(4)5/h7,10,12,14-15H,2,4,6,8-9,11H2,1,3,5H3/b12-10+.
What are the key properties of [(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate?
[(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate has a molecular weight of 250.38 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-6-ethyldeca-1,3-dien-5-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 141473258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).