3,6,8-trimethyldodec-1-ene

C15H30 — CID 123174555

IUPAC3,6,8-trimethyldodec-1-ene
SMILESC=CC(C)CCC(C)CC(C)CCCC
InChIInChI=1S/C15H30/c1-6-8-9-14(4)12-15(5)11-10-13(3)7-2/h7,13-15H,2,6,8-12H2,1,3-5H3
InChIKeyYYNOVKTZLQASJC-UHFFFAOYSA-N
MW210.41 g/mol
LogP5.44
Rot. Bonds9

About 3,6,8-trimethyldodec-1-ene

3,6,8-trimethyldodec-1-ene (PubChem CID 123174555) has the molecular formula C15H30 and a molecular weight of 210.41 g/mol. Its IUPAC name is 3,6,8-trimethyldodec-1-ene.

Molecular Properties

Compound Name3,6,8-trimethyldodec-1-ene
PubChem CID123174555
Molecular FormulaC15H30
Molecular Weight210.41 g/mol
Exact Mass210.23
IUPAC Name3,6,8-trimethyldodec-1-ene
SMILESC=CC(C)CCC(C)CC(C)CCCC
InChIInChI=1S/C15H30/c1-6-8-9-14(4)12-15(5)11-10-13(3)7-2/h7,13-15H,2,6,8-12H2,1,3-5H3
InChIKeyYYNOVKTZLQASJC-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.41
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,7,10-trimethyltetradecane
CID 91033593
acetylene;3-methylhept-1-ene;propane
CID 144520771
butane;3,6-dimethylocta-1,7-diene;ethane;propane
CID 144723339
4,11,14,16-tetramethylicosane
CID 123438722
3,5,8-trimethylnon-1-ene
CID 123935828
2,4-dimethyloctane;ethene
CID 156719555
5,15,17-trimethylpentatriacontane
CID 172565406
3,6,7,10-tetramethyldodec-1-ene
CID 143243689
4,6-dimethyldodec-1-ene
CID 170848376
6,8-dimethylhexadecane
CID 91185725
(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
CID 11474903
4,6-dimethyldec-2-ene
CID 123345769

Frequently Asked Questions

What is the IUPAC name of 3,6,8-trimethyldodec-1-ene?
The IUPAC name of 3,6,8-trimethyldodec-1-ene (CID 123174555) is 3,6,8-trimethyldodec-1-ene.
What is the SMILES notation for 3,6,8-trimethyldodec-1-ene?
The canonical SMILES for 3,6,8-trimethyldodec-1-ene is C=CC(C)CCC(C)CC(C)CCCC.
What is the InChIKey of 3,6,8-trimethyldodec-1-ene?
The InChIKey is YYNOVKTZLQASJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-8-9-14(4)12-15(5)11-10-13(3)7-2/h7,13-15H,2,6,8-12H2,1,3-5H3.
What are the key properties of 3,6,8-trimethyldodec-1-ene?
3,6,8-trimethyldodec-1-ene has a molecular weight of 210.41 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8-trimethyldodec-1-ene is sourced from PubChem (CID 123174555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).