3,5,5,8-tetramethyldecane

C14H30 — CID 57491683

IUPAC3,5,5,8-tetramethyldecane
SMILESCCC(C)CCC(C)(C)CC(C)CC
InChIInChI=1S/C14H30/c1-7-12(3)9-10-14(5,6)11-13(4)8-2/h12-13H,7-11H2,1-6H3
InChIKeyAGFGRKQJBMLLLZ-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds7

About 3,5,5,8-tetramethyldecane

3,5,5,8-tetramethyldecane (PubChem CID 57491683) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 3,5,5,8-tetramethyldecane.

Molecular Properties

Compound Name3,5,5,8-tetramethyldecane
PubChem CID57491683
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name3,5,5,8-tetramethyldecane
SMILESCCC(C)CCC(C)(C)CC(C)CC
InChIInChI=1S/C14H30/c1-7-12(3)9-10-14(5,6)11-13(4)8-2/h12-13H,7-11H2,1-6H3
InChIKeyAGFGRKQJBMLLLZ-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.28
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
2,2,4-Trimethylheptane
CID 26839
3,6-Dimethyloctane
CID 85927
2,6-Dimethyloctane
CID 16319
2,4-Dimethylheptane
CID 16656
4-Methyloctane
CID 16665

Frequently Asked Questions

What is the IUPAC name of 3,5,5,8-tetramethyldecane?
The IUPAC name of 3,5,5,8-tetramethyldecane (CID 57491683) is 3,5,5,8-tetramethyldecane.
What is the SMILES notation for 3,5,5,8-tetramethyldecane?
The canonical SMILES for 3,5,5,8-tetramethyldecane is CCC(C)CCC(C)(C)CC(C)CC.
What is the InChIKey of 3,5,5,8-tetramethyldecane?
The InChIKey is AGFGRKQJBMLLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-7-12(3)9-10-14(5,6)11-13(4)8-2/h12-13H,7-11H2,1-6H3.
What are the key properties of 3,5,5,8-tetramethyldecane?
3,5,5,8-tetramethyldecane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,8-tetramethyldecane is sourced from PubChem (CID 57491683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).