(4E)-10-methyl-6-methylideneundeca-1,4,9-triene

C13H20 — CID 162518511

IUPAC(4E)-10-methyl-6-methylideneundeca-1,4,9-triene
SMILESC=CC/C=C/C(=C)CCC=C(C)C
InChIInChI=1S/C13H20/c1-5-6-7-10-13(4)11-8-9-12(2)3/h5,7,9-10H,1,4,6,8,11H2,2-3H3/b10-7+
InChIKeyYGNSQJXLTJXVJO-JXMROGBWSA-N
MW176.30 g/mol
LogP4.42
Rot. Bonds6

About (4E)-10-methyl-6-methylideneundeca-1,4,9-triene

(4E)-10-methyl-6-methylideneundeca-1,4,9-triene (PubChem CID 162518511) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (4E)-10-methyl-6-methylideneundeca-1,4,9-triene.

Molecular Properties

Compound Name(4E)-10-methyl-6-methylideneundeca-1,4,9-triene
PubChem CID162518511
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(4E)-10-methyl-6-methylideneundeca-1,4,9-triene
SMILESC=CC/C=C/C(=C)CCC=C(C)C
InChIInChI=1S/C13H20/c1-5-6-7-10-13(4)11-8-9-12(2)3/h5,7,9-10H,1,4,6,8,11H2,2-3H3/b10-7+
InChIKeyYGNSQJXLTJXVJO-JXMROGBWSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-10-methyl-6-methylideneundeca-1,4,9-triene?
The IUPAC name of (4E)-10-methyl-6-methylideneundeca-1,4,9-triene (CID 162518511) is (4E)-10-methyl-6-methylideneundeca-1,4,9-triene.
What is the SMILES notation for (4E)-10-methyl-6-methylideneundeca-1,4,9-triene?
The canonical SMILES for (4E)-10-methyl-6-methylideneundeca-1,4,9-triene is C=CC/C=C/C(=C)CCC=C(C)C.
What is the InChIKey of (4E)-10-methyl-6-methylideneundeca-1,4,9-triene?
The InChIKey is YGNSQJXLTJXVJO-JXMROGBWSA-N. The full InChI is InChI=1S/C13H20/c1-5-6-7-10-13(4)11-8-9-12(2)3/h5,7,9-10H,1,4,6,8,11H2,2-3H3/b10-7+.
What are the key properties of (4E)-10-methyl-6-methylideneundeca-1,4,9-triene?
(4E)-10-methyl-6-methylideneundeca-1,4,9-triene has a molecular weight of 176.30 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-10-methyl-6-methylideneundeca-1,4,9-triene is sourced from PubChem (CID 162518511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).