2-methylundeca-1,3,6,10-tetraene

C12H18 — CID 123646440

IUPAC2-methylundeca-1,3,6,10-tetraene
SMILESC=CCCC=CCC=CC(=C)C
InChIInChI=1S/C12H18/c1-4-5-6-7-8-9-10-11-12(2)3/h4,7-8,10-11H,1-2,5-6,9H2,3H3
InChIKeyIMPKOZZASJMMTB-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.03
Rot. Bonds6

About 2-methylundeca-1,3,6,10-tetraene

2-methylundeca-1,3,6,10-tetraene (PubChem CID 123646440) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-methylundeca-1,3,6,10-tetraene.

Molecular Properties

Compound Name2-methylundeca-1,3,6,10-tetraene
PubChem CID123646440
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2-methylundeca-1,3,6,10-tetraene
SMILESC=CCCC=CCC=CC(=C)C
InChIInChI=1S/C12H18/c1-4-5-6-7-8-9-10-11-12(2)3/h4,7-8,10-11H,1-2,5-6,9H2,3H3
InChIKeyIMPKOZZASJMMTB-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10-methylundeca-1,5,9-triene
CID 71330376
2-methyldeca-1,5,9-triene
CID 163214311
(5E)-deca-1,5,9-triene
CID 5362636
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
(5E)-nona-1,5-diene
CID 6429608
(3Z)-2,7-dimethylocta-1,3,6-triene;ethene
CID 143233879
ethene;octa-1,5-diene
CID 175164046
8-methylnona-1,5-diene;2-methylprop-1-ene
CID 173298827
pentadeca-1,7,10-triene
CID 174048702
(3Z,5Z)-2-methylnona-1,3,5,8-tetraene
CID 144596669

Frequently Asked Questions

What is the IUPAC name of 2-methylundeca-1,3,6,10-tetraene?
The IUPAC name of 2-methylundeca-1,3,6,10-tetraene (CID 123646440) is 2-methylundeca-1,3,6,10-tetraene.
What is the SMILES notation for 2-methylundeca-1,3,6,10-tetraene?
The canonical SMILES for 2-methylundeca-1,3,6,10-tetraene is C=CCCC=CCC=CC(=C)C.
What is the InChIKey of 2-methylundeca-1,3,6,10-tetraene?
The InChIKey is IMPKOZZASJMMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-4-5-6-7-8-9-10-11-12(2)3/h4,7-8,10-11H,1-2,5-6,9H2,3H3.
What are the key properties of 2-methylundeca-1,3,6,10-tetraene?
2-methylundeca-1,3,6,10-tetraene has a molecular weight of 162.28 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylundeca-1,3,6,10-tetraene is sourced from PubChem (CID 123646440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).