(4E,8E)-7-methyldeca-1,4,8-triene

C11H18 — CID 20695287

IUPAC(4E,8E)-7-methyldeca-1,4,8-triene
SMILESC=CC/C=C/CC(C)/C=C/C
InChIInChI=1S/C11H18/c1-4-6-7-8-10-11(3)9-5-2/h4-5,7-9,11H,1,6,10H2,2-3H3/b8-7+,9-5+
InChIKeyJKXWMVWWQSSMOJ-DMQCZMPNSA-N
MW150.26 g/mol
LogP3.72
Rot. Bonds5

About (4E,8E)-7-methyldeca-1,4,8-triene

(4E,8E)-7-methyldeca-1,4,8-triene (PubChem CID 20695287) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (4E,8E)-7-methyldeca-1,4,8-triene.

Molecular Properties

Compound Name(4E,8E)-7-methyldeca-1,4,8-triene
PubChem CID20695287
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(4E,8E)-7-methyldeca-1,4,8-triene
SMILESC=CC/C=C/CC(C)/C=C/C
InChIInChI=1S/C11H18/c1-4-6-7-8-10-11(3)9-5-2/h4-5,7-9,11H,1,6,10H2,2-3H3/b8-7+,9-5+
InChIKeyJKXWMVWWQSSMOJ-DMQCZMPNSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,8E)-7-methyldeca-1,4,8-triene?
The IUPAC name of (4E,8E)-7-methyldeca-1,4,8-triene (CID 20695287) is (4E,8E)-7-methyldeca-1,4,8-triene.
What is the SMILES notation for (4E,8E)-7-methyldeca-1,4,8-triene?
The canonical SMILES for (4E,8E)-7-methyldeca-1,4,8-triene is C=CC/C=C/CC(C)/C=C/C.
What is the InChIKey of (4E,8E)-7-methyldeca-1,4,8-triene?
The InChIKey is JKXWMVWWQSSMOJ-DMQCZMPNSA-N. The full InChI is InChI=1S/C11H18/c1-4-6-7-8-10-11(3)9-5-2/h4-5,7-9,11H,1,6,10H2,2-3H3/b8-7+,9-5+.
What are the key properties of (4E,8E)-7-methyldeca-1,4,8-triene?
(4E,8E)-7-methyldeca-1,4,8-triene has a molecular weight of 150.26 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-7-methyldeca-1,4,8-triene is sourced from PubChem (CID 20695287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).