3,7-dimethyldeca-1,4,6-triene

C12H20 — CID 123725882

IUPAC3,7-dimethyldeca-1,4,6-triene
SMILESC=CC(C)C=CC=C(C)CCC
InChIInChI=1S/C12H20/c1-5-8-12(4)10-7-9-11(3)6-2/h6-7,9-11H,2,5,8H2,1,3-4H3
InChIKeyWGNIKHHPUBKERA-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds5

About 3,7-dimethyldeca-1,4,6-triene

3,7-dimethyldeca-1,4,6-triene (PubChem CID 123725882) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 3,7-dimethyldeca-1,4,6-triene.

Molecular Properties

Compound Name3,7-dimethyldeca-1,4,6-triene
PubChem CID123725882
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name3,7-dimethyldeca-1,4,6-triene
SMILESC=CC(C)C=CC=C(C)CCC
InChIInChI=1S/C12H20/c1-5-8-12(4)10-7-9-11(3)6-2/h6-7,9-11H,2,5,8H2,1,3-4H3
InChIKeyWGNIKHHPUBKERA-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.11
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

butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane
CID 143356307
(3E)-5-methylhepta-1,3,6-triene
CID 5367027
3-ethyl-7-methylundeca-4,6-diene
CID 123921813
3-methylocta-1,4-diene
CID 123442447
(1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene
CID 146617133
(3E)-4,8-dimethylundeca-1,3,7-triene
CID 172676180
6-but-3-en-2-yl-4-methylundeca-4,7-diene
CID 173062275
(4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid
CID 11367593
(4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide
CID 174026900
(2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene
CID 163604604
(3Z,5E)-6,8-dimethylnona-1,3,5-triene
CID 174045679
2,6-dimethylocta-1,4,7-triene
CID 71437037

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyldeca-1,4,6-triene?
The IUPAC name of 3,7-dimethyldeca-1,4,6-triene (CID 123725882) is 3,7-dimethyldeca-1,4,6-triene.
What is the SMILES notation for 3,7-dimethyldeca-1,4,6-triene?
The canonical SMILES for 3,7-dimethyldeca-1,4,6-triene is C=CC(C)C=CC=C(C)CCC.
What is the InChIKey of 3,7-dimethyldeca-1,4,6-triene?
The InChIKey is WGNIKHHPUBKERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-8-12(4)10-7-9-11(3)6-2/h6-7,9-11H,2,5,8H2,1,3-4H3.
What are the key properties of 3,7-dimethyldeca-1,4,6-triene?
3,7-dimethyldeca-1,4,6-triene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyldeca-1,4,6-triene is sourced from PubChem (CID 123725882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).