2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane

C13H28O — CID 177210579

IUPAC2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane
SMILESCCC(C)CC(C)(C)OC(C)(C)CC
InChIInChI=1S/C13H28O/c1-8-11(3)10-13(6,7)14-12(4,5)9-2/h11H,8-10H2,1-7H3
InChIKeySMDSYVSARRVNHZ-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.41
Rot. Bonds6

About 2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane

2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane (PubChem CID 177210579) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane.

Molecular Properties

Compound Name2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane
PubChem CID177210579
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane
SMILESCCC(C)CC(C)(C)OC(C)(C)CC
InChIInChI=1S/C13H28O/c1-8-11(3)10-13(6,7)14-12(4,5)9-2/h11H,8-10H2,1-7H3
InChIKeySMDSYVSARRVNHZ-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-(2-methylbutan-2-yloxy)butane;hydrochloride
CID 87152227
sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane
CID 24898418
methanol;2-methyl-2-(2-methylbutan-2-yloxy)butane;propan-2-ol
CID 137497560
3-fluoro-3,5-dimethylheptane
CID 123257807
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
3-ethyl-3,4,4,6-tetramethyloctane
CID 57492408
3,3,5,7-tetramethylnonane
CID 57490983
2,2,3,4,5,5,7-heptamethylnonane
CID 123300553
2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane
CID 123504643
(3S)-5-ethyl-3,5-dimethyloctane
CID 143713459

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane?
The IUPAC name of 2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane (CID 177210579) is 2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane.
What is the SMILES notation for 2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane?
The canonical SMILES for 2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane is CCC(C)CC(C)(C)OC(C)(C)CC.
What is the InChIKey of 2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane?
The InChIKey is SMDSYVSARRVNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-8-11(3)10-13(6,7)14-12(4,5)9-2/h11H,8-10H2,1-7H3.
What are the key properties of 2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane?
2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane has a molecular weight of 200.37 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane is sourced from PubChem (CID 177210579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).