4-tert-butyl-3,4,6-trimethyloctane

C15H32 — CID 123273075

IUPAC4-tert-butyl-3,4,6-trimethyloctane
SMILESCCC(C)CC(C)(C(C)CC)C(C)(C)C
InChIInChI=1S/C15H32/c1-9-12(3)11-15(8,13(4)10-2)14(5,6)7/h12-13H,9-11H2,1-8H3
InChIKeyGEQKESGBNUHDHO-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.52
Rot. Bonds5

About 4-tert-butyl-3,4,6-trimethyloctane

4-tert-butyl-3,4,6-trimethyloctane (PubChem CID 123273075) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 4-tert-butyl-3,4,6-trimethyloctane.

Molecular Properties

Compound Name4-tert-butyl-3,4,6-trimethyloctane
PubChem CID123273075
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name4-tert-butyl-3,4,6-trimethyloctane
SMILESCCC(C)CC(C)(C(C)CC)C(C)(C)C
InChIInChI=1S/C15H32/c1-9-12(3)11-15(8,13(4)10-2)14(5,6)7/h12-13H,9-11H2,1-8H3
InChIKeyGEQKESGBNUHDHO-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
4,4,6-trimethyloct-2-ene
CID 91386037
3-fluoro-3,5-dimethylheptane
CID 123257807
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
3-ethyl-3,4,4,6-tetramethyloctane
CID 57492408
1-bromo-2-(bromomethyl)-2,4-dimethylhexane
CID 79453025
2,2,4-trimethylhexan-1-ol
CID 14747424
1,1,1-trifluoro-3-methylpentane
CID 21020397
3-ethyl-4,4,6-trimethyloct-2-ene
CID 123752738
3,5,5,6,10-pentamethyldodecane
CID 91028841
4,4,6-trimethyloctan-2-ol
CID 64717881

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,4,6-trimethyloctane?
The IUPAC name of 4-tert-butyl-3,4,6-trimethyloctane (CID 123273075) is 4-tert-butyl-3,4,6-trimethyloctane.
What is the SMILES notation for 4-tert-butyl-3,4,6-trimethyloctane?
The canonical SMILES for 4-tert-butyl-3,4,6-trimethyloctane is CCC(C)CC(C)(C(C)CC)C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3,4,6-trimethyloctane?
The InChIKey is GEQKESGBNUHDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-9-12(3)11-15(8,13(4)10-2)14(5,6)7/h12-13H,9-11H2,1-8H3.
What are the key properties of 4-tert-butyl-3,4,6-trimethyloctane?
4-tert-butyl-3,4,6-trimethyloctane has a molecular weight of 212.42 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,4,6-trimethyloctane is sourced from PubChem (CID 123273075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).