2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane

C10H22O — CID 123698451

IUPAC2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCCC(C)(C)COC(C)(C)C
InChIInChI=1S/C10H22O/c1-7-10(5,6)8-11-9(2,3)4/h7-8H2,1-6H3
InChIKeyCAHISAWMIZNPEI-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds3

About 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane

2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 123698451) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
PubChem CID123698451
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCCC(C)(C)COC(C)(C)C
InChIInChI=1S/C10H22O/c1-7-10(5,6)8-11-9(2,3)4/h7-8H2,1-6H3
InChIKeyCAHISAWMIZNPEI-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylbutoxyalumane
CID 174485642
1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane
CID 171725386
1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane
CID 86682667
1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane
CID 134366206
2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane
CID 170050627
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane
CID 54255382
2-methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
2-(2,2-difluoropropoxy)-2-methylpropane
CID 88885864
tetrakis(3,3-dimethylpentane);methane
CID 159658641

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane (CID 123698451) is 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane is CCC(C)(C)COC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is CAHISAWMIZNPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-7-10(5,6)8-11-9(2,3)4/h7-8H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane?
2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 123698451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).