11-methyldodeca-1,3-diene

C13H24 — CID 154156925

IUPAC11-methyldodeca-1,3-diene
SMILESC=CC=CCCCCCCC(C)C
InChIInChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h4-6,13H,1,7-12H2,2-3H3
InChIKeyVODJBQPOBZCEBN-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.73
Rot. Bonds8

About 11-methyldodeca-1,3-diene

11-methyldodeca-1,3-diene (PubChem CID 154156925) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 11-methyldodeca-1,3-diene.

Molecular Properties

Compound Name11-methyldodeca-1,3-diene
PubChem CID154156925
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name11-methyldodeca-1,3-diene
SMILESC=CC=CCCCCCCC(C)C
InChIInChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h4-6,13H,1,7-12H2,2-3H3
InChIKeyVODJBQPOBZCEBN-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
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

(3Z,5Z)-10-methylundeca-1,3,5-triene
CID 172592862
trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium
CID 101109490
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
11-ethyltrideca-1,3-diene
CID 163546682
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-13-methyltetradec-2-enal
CID 11333582
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(3E)-17,17-dimethoxyheptadeca-1,3-diene
CID 163205429
(3Z)-10,10-dimethoxydeca-1,3-diene
CID 163205940

Frequently Asked Questions

What is the IUPAC name of 11-methyldodeca-1,3-diene?
The IUPAC name of 11-methyldodeca-1,3-diene (CID 154156925) is 11-methyldodeca-1,3-diene.
What is the SMILES notation for 11-methyldodeca-1,3-diene?
The canonical SMILES for 11-methyldodeca-1,3-diene is C=CC=CCCCCCCC(C)C.
What is the InChIKey of 11-methyldodeca-1,3-diene?
The InChIKey is VODJBQPOBZCEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h4-6,13H,1,7-12H2,2-3H3.
What are the key properties of 11-methyldodeca-1,3-diene?
11-methyldodeca-1,3-diene has a molecular weight of 180.34 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyldodeca-1,3-diene is sourced from PubChem (CID 154156925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).