2,2,6-trimethyldecane

C13H28 — CID 545798

IUPAC2,2,6-trimethyldecane
SMILESCCCCC(C)CCCC(C)(C)C
InChIInChI=1S/C13H28/c1-6-7-9-12(2)10-8-11-13(3,4)5/h12H,6-11H2,1-5H3
InChIKeyGHVQJGOEZGHZJM-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds6

About 2,2,6-trimethyldecane

2,2,6-trimethyldecane (PubChem CID 545798) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 2,2,6-trimethyldecane.

Molecular Properties

Compound Name2,2,6-trimethyldecane
PubChem CID545798
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name2,2,6-trimethyldecane
SMILESCCCCC(C)CCCC(C)(C)C
InChIInChI=1S/C13H28/c1-6-7-9-12(2)10-8-11-13(3,4)5/h12H,6-11H2,1-5H3
InChIKeyGHVQJGOEZGHZJM-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Methyldecane
CID 23415
2-Methyloctane
CID 18591
2-Methylundecane
CID 23459
Farnesane
CID 19773
4-Methyldecane
CID 17835
3-Methyldecane
CID 92239
2-Methylnonane
CID 13379
Heptane, 5-ethyl-2-methyl-
CID 26056
2,2,4-Trimethylheptane
CID 26839
3,6-Dimethyloctane
CID 85927
2,6-Dimethyloctane
CID 16319
2,4-Dimethylheptane
CID 16656

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyldecane?
The IUPAC name of 2,2,6-trimethyldecane (CID 545798) is 2,2,6-trimethyldecane.
What is the SMILES notation for 2,2,6-trimethyldecane?
The canonical SMILES for 2,2,6-trimethyldecane is CCCCC(C)CCCC(C)(C)C.
What is the InChIKey of 2,2,6-trimethyldecane?
The InChIKey is GHVQJGOEZGHZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-6-7-9-12(2)10-8-11-13(3,4)5/h12H,6-11H2,1-5H3.
What are the key properties of 2,2,6-trimethyldecane?
2,2,6-trimethyldecane has a molecular weight of 184.37 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyldecane is sourced from PubChem (CID 545798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).