4-methyldodeca-1,6,8,10-tetraene

C13H20 — CID 123717396

IUPAC4-methyldodeca-1,6,8,10-tetraene
SMILESC=CCC(C)CC=CC=CC=CC
InChIInChI=1S/C13H20/c1-4-6-7-8-9-10-12-13(3)11-5-2/h4-10,13H,2,11-12H2,1,3H3
InChIKeyDITQUBDHUBIJGA-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.28
Rot. Bonds6

About 4-methyldodeca-1,6,8,10-tetraene

4-methyldodeca-1,6,8,10-tetraene (PubChem CID 123717396) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 4-methyldodeca-1,6,8,10-tetraene.

Molecular Properties

Compound Name4-methyldodeca-1,6,8,10-tetraene
PubChem CID123717396
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name4-methyldodeca-1,6,8,10-tetraene
SMILESC=CCC(C)CC=CC=CC=CC
InChIInChI=1S/C13H20/c1-4-6-7-8-9-10-12-13(3)11-5-2/h4-10,13H,2,11-12H2,1,3H3
InChIKeyDITQUBDHUBIJGA-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
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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Related Compounds

(5Z,7Z)-3-methylnona-1,5,7-triene
CID 142930221
7-methylocta-2,4-diene
CID 519923
ethane;(2Z,4Z)-7-methylocta-2,4-diene
CID 143708090
4,8,8-trimethylnona-1,6-diene
CID 173093207
(7E)-4-methylnona-1,7-diene
CID 173060914
(3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene
CID 161078348
(3E,7S,9E,11E)-7-methyltrideca-3,9,11-trien-2-one
CID 11687113
N-[[(2E,4E)-hexa-2,4-dienyl]-prop-2-enylphosphoryl]-N-propan-2-ylpropan-2-amine
CID 15252639
tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane
CID 11312882
(4S)-5-iodo-4-methylpent-1-ene
CID 101059144
(2Z,4Z)-7-propyldeca-2,4-diene
CID 155725646
4-methylhepta-1,6-diene-1,1-diamine
CID 88988242

Frequently Asked Questions

What is the IUPAC name of 4-methyldodeca-1,6,8,10-tetraene?
The IUPAC name of 4-methyldodeca-1,6,8,10-tetraene (CID 123717396) is 4-methyldodeca-1,6,8,10-tetraene.
What is the SMILES notation for 4-methyldodeca-1,6,8,10-tetraene?
The canonical SMILES for 4-methyldodeca-1,6,8,10-tetraene is C=CCC(C)CC=CC=CC=CC.
What is the InChIKey of 4-methyldodeca-1,6,8,10-tetraene?
The InChIKey is DITQUBDHUBIJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-4-6-7-8-9-10-12-13(3)11-5-2/h4-10,13H,2,11-12H2,1,3H3.
What are the key properties of 4-methyldodeca-1,6,8,10-tetraene?
4-methyldodeca-1,6,8,10-tetraene has a molecular weight of 176.30 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyldodeca-1,6,8,10-tetraene is sourced from PubChem (CID 123717396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).