(3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene

C17H28 — CID 56936068

IUPAC(3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene
SMILESCC/C=C/C(=C/C(=C/C(C)=C/CC)CC)CC
InChIInChI=1S/C17H28/c1-6-10-12-16(8-3)14-17(9-4)13-15(5)11-7-2/h10-14H,6-9H2,1-5H3/b12-10+,15-11+,16-14+,17-13+
InChIKeyYHCDUBINXCMNBC-AZJPFMHZSA-N
MW232.41 g/mol
LogP5.98
Rot. Bonds7

About (3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene

(3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene (PubChem CID 56936068) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is (3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene.

Molecular Properties

Compound Name(3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene
PubChem CID56936068
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name(3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene
SMILESCC/C=C/C(=C/C(=C/C(C)=C/CC)CC)CC
InChIInChI=1S/C17H28/c1-6-10-12-16(8-3)14-17(9-4)13-15(5)11-7-2/h10-14H,6-9H2,1-5H3/b12-10+,15-11+,16-14+,17-13+
InChIKeyYHCDUBINXCMNBC-AZJPFMHZSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene?
The IUPAC name of (3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene (CID 56936068) is (3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene.
What is the SMILES notation for (3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene?
The canonical SMILES for (3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene is CC/C=C/C(=C/C(=C/C(C)=C/CC)CC)CC.
What is the InChIKey of (3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene?
The InChIKey is YHCDUBINXCMNBC-AZJPFMHZSA-N. The full InChI is InChI=1S/C17H28/c1-6-10-12-16(8-3)14-17(9-4)13-15(5)11-7-2/h10-14H,6-9H2,1-5H3/b12-10+,15-11+,16-14+,17-13+.
What are the key properties of (3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene?
(3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene has a molecular weight of 232.41 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene is sourced from PubChem (CID 56936068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).