(3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene

C13H22 — CID 56936065

IUPAC(3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene
SMILESCC/C=C/C(=C/C(C)=C/CC)CC
InChIInChI=1S/C13H22/c1-5-8-10-13(7-3)11-12(4)9-6-2/h8-11H,5-7H2,1-4H3/b10-8+,12-9+,13-11+
InChIKeyXVFSRVJYTDFHHZ-GCMZYXHCSA-N
MW178.32 g/mol
LogP4.65
Rot. Bonds5

About (3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene

(3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene (PubChem CID 56936065) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene.

Molecular Properties

Compound Name(3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene
PubChem CID56936065
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene
SMILESCC/C=C/C(=C/C(C)=C/CC)CC
InChIInChI=1S/C13H22/c1-5-8-10-13(7-3)11-12(4)9-6-2/h8-11H,5-7H2,1-4H3/b10-8+,12-9+,13-11+
InChIKeyXVFSRVJYTDFHHZ-GCMZYXHCSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.65
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)-6-ethyl-4-methyldeca-3,5,7-triene?
The IUPAC name of (3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene (CID 56936065) is (3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene.
What is the SMILES notation for (3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene?
The canonical SMILES for (3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene is CC/C=C/C(=C/C(C)=C/CC)CC.
What is the InChIKey of (3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene?
The InChIKey is XVFSRVJYTDFHHZ-GCMZYXHCSA-N. The full InChI is InChI=1S/C13H22/c1-5-8-10-13(7-3)11-12(4)9-6-2/h8-11H,5-7H2,1-4H3/b10-8+,12-9+,13-11+.
What are the key properties of (3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene?
(3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene has a molecular weight of 178.32 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene is sourced from PubChem (CID 56936065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).