2-methyldeca-1,4,6,7-tetraene

C11H16 — CID 123965584

IUPAC2-methyldeca-1,4,6,7-tetraene
SMILESC=C(C)CC=CC=C=CCC
InChIInChI=1S/C11H16/c1-4-5-6-7-8-9-10-11(2)3/h5,7-9H,2,4,10H2,1,3H3
InChIKeyBXTKSMYQZPGSIH-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.63
Rot. Bonds4

About 2-methyldeca-1,4,6,7-tetraene

2-methyldeca-1,4,6,7-tetraene (PubChem CID 123965584) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-methyldeca-1,4,6,7-tetraene.

Molecular Properties

Compound Name2-methyldeca-1,4,6,7-tetraene
PubChem CID123965584
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2-methyldeca-1,4,6,7-tetraene
SMILESC=C(C)CC=CC=C=CCC
InChIInChI=1S/C11H16/c1-4-5-6-7-8-9-10-11(2)3/h5,7-9H,2,4,10H2,1,3H3
InChIKeyBXTKSMYQZPGSIH-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.63
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

(4E)-2-methylhexa-1,4-diene
CID 5367524
azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne
CID 143376681
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
2-methylnona-2,5,6-triene
CID 173409169
2-methyl-6-methylidenenona-1,4-diene
CID 90971129
(4Z)-2,6-dimethylnona-1,4-diene
CID 142337517
2,7-dimethylocta-1,4-diene
CID 91198698
(2Z)-5-methylhexa-2,5-dienoic acid
CID 55299633
bis(2-methylprop-1-ene);propane
CID 159493997
tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane
CID 11257245
(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
CID 142924242
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231

Frequently Asked Questions

What is the IUPAC name of 2-methyldeca-1,4,6,7-tetraene?
The IUPAC name of 2-methyldeca-1,4,6,7-tetraene (CID 123965584) is 2-methyldeca-1,4,6,7-tetraene.
What is the SMILES notation for 2-methyldeca-1,4,6,7-tetraene?
The canonical SMILES for 2-methyldeca-1,4,6,7-tetraene is C=C(C)CC=CC=C=CCC.
What is the InChIKey of 2-methyldeca-1,4,6,7-tetraene?
The InChIKey is BXTKSMYQZPGSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-4-5-6-7-8-9-10-11(2)3/h5,7-9H,2,4,10H2,1,3H3.
What are the key properties of 2-methyldeca-1,4,6,7-tetraene?
2-methyldeca-1,4,6,7-tetraene has a molecular weight of 148.25 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldeca-1,4,6,7-tetraene is sourced from PubChem (CID 123965584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).