2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane

C20H36 — CID 162272245

IUPAC2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane
SMILESC.CC(C)=CC=CC(C)C.CC(C)=CC=CC=C(C)C
InChIInChI=1S/C10H16.C9H16.CH4/c1-9(2)7-5-6-8-10(3)4;1-8(2)6-5-7-9(3)4;/h5-8H,1-4H3;5-8H,1-4H3;1H4
InChIKeyHLKFFYMZKGTTTI-UHFFFAOYSA-N
MW276.51 g/mol
LogP7.28
Rot. Bonds4

About 2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane

2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane (PubChem CID 162272245) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane.

Molecular Properties

Compound Name2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane
PubChem CID162272245
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane
SMILESC.CC(C)=CC=CC(C)C.CC(C)=CC=CC=C(C)C
InChIInChI=1S/C10H16.C9H16.CH4/c1-9(2)7-5-6-8-10(3)4;1-8(2)6-5-7-9(3)4;/h5-8H,1-4H3;5-8H,1-4H3;1H4
InChIKeyHLKFFYMZKGTTTI-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
(4E,8E)-2,10-dimethylundeca-2,4,6,8-tetraene;yttrium
CID 162510504
(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine
CID 126583961
2,6-dimethylhepta-2,4-dienal
CID 171535580
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
(2Z,4E)-2,6-dimethylhepta-2,4-dienamide
CID 129311525
(2E,4Z)-2,6-dimethylhepta-2,4-dienenitrile;ethane
CID 142548648
(3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene
CID 58515107
(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
CID 158024644
(3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene
CID 162885437
butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane
CID 143356307

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane?
The IUPAC name of 2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane (CID 162272245) is 2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane.
What is the SMILES notation for 2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane?
The canonical SMILES for 2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane is C.CC(C)=CC=CC(C)C.CC(C)=CC=CC=C(C)C.
What is the InChIKey of 2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane?
The InChIKey is HLKFFYMZKGTTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C9H16.CH4/c1-9(2)7-5-6-8-10(3)4;1-8(2)6-5-7-9(3)4;/h5-8H,1-4H3;5-8H,1-4H3;1H4.
What are the key properties of 2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane?
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane has a molecular weight of 276.51 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane is sourced from PubChem (CID 162272245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).