(4E)-2,4-dimethylundeca-2,4-diene

C13H24 — CID 102247749

IUPAC(4E)-2,4-dimethylundeca-2,4-diene
SMILESCCCCCC/C=C(\C)C=C(C)C
InChIInChI=1S/C13H24/c1-5-6-7-8-9-10-13(4)11-12(2)3/h10-11H,5-9H2,1-4H3/b13-10+
InChIKeyOWONZFDRPXUNQX-JLHYYAGUSA-N
MW180.33 g/mol
LogP4.87
Rot. Bonds6

About (4E)-2,4-dimethylundeca-2,4-diene

(4E)-2,4-dimethylundeca-2,4-diene (PubChem CID 102247749) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (4E)-2,4-dimethylundeca-2,4-diene.

Molecular Properties

Compound Name(4E)-2,4-dimethylundeca-2,4-diene
PubChem CID102247749
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(4E)-2,4-dimethylundeca-2,4-diene
SMILESCCCCCC/C=C(\C)C=C(C)C
InChIInChI=1S/C13H24/c1-5-6-7-8-9-10-13(4)11-12(2)3/h10-11H,5-9H2,1-4H3/b13-10+
InChIKeyOWONZFDRPXUNQX-JLHYYAGUSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylhenicos-2-ene;dihydrobromide
CID 175068359
(3Z)-3-methyldodeca-1,3-diene
CID 13382661
6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
CID 14783585
(3E)-3-methylnona-1,3-diene
CID 13382655
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid
CID 141422618
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
ethane;(Z)-6-(2-methylprop-1-enyl)undec-5-ene
CID 176571017
(Z)-3-methylheptadec-3-ene
CID 159647191

Frequently Asked Questions

What is the IUPAC name of (4E)-2,4-dimethylundeca-2,4-diene?
The IUPAC name of (4E)-2,4-dimethylundeca-2,4-diene (CID 102247749) is (4E)-2,4-dimethylundeca-2,4-diene.
What is the SMILES notation for (4E)-2,4-dimethylundeca-2,4-diene?
The canonical SMILES for (4E)-2,4-dimethylundeca-2,4-diene is CCCCCC/C=C(\C)C=C(C)C.
What is the InChIKey of (4E)-2,4-dimethylundeca-2,4-diene?
The InChIKey is OWONZFDRPXUNQX-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H24/c1-5-6-7-8-9-10-13(4)11-12(2)3/h10-11H,5-9H2,1-4H3/b13-10+.
What are the key properties of (4E)-2,4-dimethylundeca-2,4-diene?
(4E)-2,4-dimethylundeca-2,4-diene has a molecular weight of 180.33 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,4-dimethylundeca-2,4-diene is sourced from PubChem (CID 102247749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).