(3E)-5,5-dimethylundeca-1,3-diene

C13H24 — CID 46919509

IUPAC(3E)-5,5-dimethylundeca-1,3-diene
SMILESC=C/C=C/C(C)(C)CCCCCC
InChIInChI=1S/C13H24/c1-5-7-9-10-12-13(3,4)11-8-6-2/h6,8,11H,2,5,7,9-10,12H2,1,3-4H3/b11-8+
InChIKeyGHQYHGQCQUBXMX-DHZHZOJOSA-N
MW180.33 g/mol
LogP4.73
Rot. Bonds7

About (3E)-5,5-dimethylundeca-1,3-diene

(3E)-5,5-dimethylundeca-1,3-diene (PubChem CID 46919509) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (3E)-5,5-dimethylundeca-1,3-diene.

Molecular Properties

Compound Name(3E)-5,5-dimethylundeca-1,3-diene
PubChem CID46919509
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(3E)-5,5-dimethylundeca-1,3-diene
SMILESC=C/C=C/C(C)(C)CCCCCC
InChIInChI=1S/C13H24/c1-5-7-9-10-12-13(3,4)11-8-6-2/h6,8,11H,2,5,7,9-10,12H2,1,3-4H3/b11-8+
InChIKeyGHQYHGQCQUBXMX-DHZHZOJOSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.73
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

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(3Z)-N-ethenyl-6-hexyl-6-methyldodeca-1,3-dien-5-imine
CID 138502761
N-(2-hydroxytridecan-2-yl)prop-2-enamide
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1-diazo-2,2-dimethylundecane
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11-methyl-11-nonylhenicosane
CID 19690388
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CID 102642280
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CID 174854097

Frequently Asked Questions

What is the IUPAC name of (3E)-5,5-dimethylundeca-1,3-diene?
The IUPAC name of (3E)-5,5-dimethylundeca-1,3-diene (CID 46919509) is (3E)-5,5-dimethylundeca-1,3-diene.
What is the SMILES notation for (3E)-5,5-dimethylundeca-1,3-diene?
The canonical SMILES for (3E)-5,5-dimethylundeca-1,3-diene is C=C/C=C/C(C)(C)CCCCCC.
What is the InChIKey of (3E)-5,5-dimethylundeca-1,3-diene?
The InChIKey is GHQYHGQCQUBXMX-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H24/c1-5-7-9-10-12-13(3,4)11-8-6-2/h6,8,11H,2,5,7,9-10,12H2,1,3-4H3/b11-8+.
What are the key properties of (3E)-5,5-dimethylundeca-1,3-diene?
(3E)-5,5-dimethylundeca-1,3-diene has a molecular weight of 180.33 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5,5-dimethylundeca-1,3-diene is sourced from PubChem (CID 46919509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).