(3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene

C18H30 — CID 56936067

IUPAC(3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene
SMILESCC/C=C/C(=C/C(=C/C(C)=C/CCC)CC)CC
InChIInChI=1S/C18H30/c1-6-10-12-16(5)14-18(9-4)15-17(8-3)13-11-7-2/h11-15H,6-10H2,1-5H3/b13-11+,16-12+,17-15+,18-14+
InChIKeyYPHOOIUBOFURLM-FHIIZRLJSA-N
MW246.44 g/mol
LogP6.37
Rot. Bonds8

About (3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene

(3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene (PubChem CID 56936067) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is (3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene.

Molecular Properties

Compound Name(3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene
PubChem CID56936067
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name(3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene
SMILESCC/C=C/C(=C/C(=C/C(C)=C/CCC)CC)CC
InChIInChI=1S/C18H30/c1-6-10-12-16(5)14-18(9-4)15-17(8-3)13-11-7-2/h11-15H,6-10H2,1-5H3/b13-11+,16-12+,17-15+,18-14+
InChIKeyYPHOOIUBOFURLM-FHIIZRLJSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.37
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)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene?
The IUPAC name of (3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene (CID 56936067) is (3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene.
What is the SMILES notation for (3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene?
The canonical SMILES for (3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene is CC/C=C/C(=C/C(=C/C(C)=C/CCC)CC)CC.
What is the InChIKey of (3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene?
The InChIKey is YPHOOIUBOFURLM-FHIIZRLJSA-N. The full InChI is InChI=1S/C18H30/c1-6-10-12-16(5)14-18(9-4)15-17(8-3)13-11-7-2/h11-15H,6-10H2,1-5H3/b13-11+,16-12+,17-15+,18-14+.
What are the key properties of (3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene?
(3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene has a molecular weight of 246.44 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene is sourced from PubChem (CID 56936067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).