(2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene

C12H20 — CID 11805103

IUPAC(2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene
SMILESC/C=C(C)/C=C(/C=C/CC)CC
InChIInChI=1S/C12H20/c1-5-8-9-12(7-3)10-11(4)6-2/h6,8-10H,5,7H2,1-4H3/b9-8+,11-6+,12-10+
InChIKeyCCGOFOHHWSKWIK-GOZCNEPISA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds4

About (2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene

(2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene (PubChem CID 11805103) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene
PubChem CID11805103
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene
SMILESC/C=C(C)/C=C(/C=C/CC)CC
InChIInChI=1S/C12H20/c1-5-8-9-12(7-3)10-11(4)6-2/h6,8-10H,5,7H2,1-4H3/b9-8+,11-6+,12-10+
InChIKeyCCGOFOHHWSKWIK-GOZCNEPISA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
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 (2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene?
The IUPAC name of (2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene (CID 11805103) is (2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene.
What is the SMILES notation for (2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene?
The canonical SMILES for (2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene is C/C=C(C)/C=C(/C=C/CC)CC.
What is the InChIKey of (2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene?
The InChIKey is CCGOFOHHWSKWIK-GOZCNEPISA-N. The full InChI is InChI=1S/C12H20/c1-5-8-9-12(7-3)10-11(4)6-2/h6,8-10H,5,7H2,1-4H3/b9-8+,11-6+,12-10+.
What are the key properties of (2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene?
(2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene is sourced from PubChem (CID 11805103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).