2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane

C19H44O — CID 158901240

IUPAC2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CC(O)C(C)(C)C.CCC(C)(C)C
InChIInChI=1S/C7H16.C6H14O.C6H14/c1-6(2)7(3,4)5;1-5(7)6(2,3)4;1-5-6(2,3)4/h6H,1-5H3;5,7H,1-4H3;5H2,1-4H3
InChIKeyJFLXPVJGGFEJBD-UHFFFAOYSA-N
MW288.56 g/mol
LogP6.54
Rot. Bonds

About 2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane

2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane (PubChem CID 158901240) has the molecular formula C19H44O and a molecular weight of 288.56 g/mol. Its IUPAC name is 2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane.

Molecular Properties

Compound Name2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane
PubChem CID158901240
Molecular FormulaC19H44O
Molecular Weight288.56 g/mol
Exact Mass288.34
IUPAC Name2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CC(O)C(C)(C)C.CCC(C)(C)C
InChIInChI=1S/C7H16.C6H14O.C6H14/c1-6(2)7(3,4)5;1-5(7)6(2,3)4;1-5-6(2,3)4/h6H,1-5H3;5,7H,1-4H3;5H2,1-4H3
InChIKeyJFLXPVJGGFEJBD-UHFFFAOYSA-N
XLogP6.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.56
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane
CID 160755411
2,2-dimethylbutane;propane;2,3,3-trimethylpentane
CID 91438439
2,2-dimethylbutane;2,3-dimethylbutane;3-methylpentane
CID 159848949
2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664
2,2-dimethylbutane;3,3-dimethylbutanoic acid;4,4-dimethylpentan-2-one;2,2,3-trimethylbutane
CID 160782233
2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane
CID 159604083
3-ethylpentane;2,2,3-trimethylbutane
CID 159696459
3-amino-3-methylpentan-2-ol
CID 159077240
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
bis(2,2-dimethylbutane);tungsten
CID 157126936
3,4,4-trimethylhexane-2,3-diol
CID 67159588

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane?
The IUPAC name of 2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane (CID 158901240) is 2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane.
What is the SMILES notation for 2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane?
The canonical SMILES for 2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane is CC(C)C(C)(C)C.CC(O)C(C)(C)C.CCC(C)(C)C.
What is the InChIKey of 2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane?
The InChIKey is JFLXPVJGGFEJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H14O.C6H14/c1-6(2)7(3,4)5;1-5(7)6(2,3)4;1-5-6(2,3)4/h6H,1-5H3;5,7H,1-4H3;5H2,1-4H3.
What are the key properties of 2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane?
2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane has a molecular weight of 288.56 g/mol, XLogP of 6.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane is sourced from PubChem (CID 158901240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).