2,2-dimethylpropane;2-methylpropan-1-ol

C9H22O — CID 158369394

IUPAC2,2-dimethylpropane;2-methylpropan-1-ol
SMILESCC(C)(C)C.CC(C)CO
InChIInChI=1S/C5H12.C4H10O/c1-5(2,3)4;1-4(2)3-5/h1-4H3;4-5H,3H2,1-2H3
InChIKeyGUKVDWOAKFFXQZ-UHFFFAOYSA-N
MW146.27 g/mol
LogP2.69
Rot. Bonds1

About 2,2-dimethylpropane;2-methylpropan-1-ol

2,2-dimethylpropane;2-methylpropan-1-ol (PubChem CID 158369394) has the molecular formula C9H22O and a molecular weight of 146.27 g/mol. Its IUPAC name is 2,2-dimethylpropane;2-methylpropan-1-ol.

Molecular Properties

Compound Name2,2-dimethylpropane;2-methylpropan-1-ol
PubChem CID158369394
Molecular FormulaC9H22O
Molecular Weight146.27 g/mol
Exact Mass146.17
IUPAC Name2,2-dimethylpropane;2-methylpropan-1-ol
SMILESCC(C)(C)C.CC(C)CO
InChIInChI=1S/C5H12.C4H10O/c1-5(2,3)4;1-4(2)3-5/h1-4H3;4-5H,3H2,1-2H3
InChIKeyGUKVDWOAKFFXQZ-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylpropan-1-ol;zinc
CID 151745482
CID 131872176
CID 131872176
azane;tris(2-methylpropan-1-ol)
CID 175819145
2-methylpropan-1-ol;zirconium(3+)
CID 150803706
lanthanum;tris(2-methylpropan-1-ol)
CID 140708551
tris(2-methylpropan-1-ol);titanium
CID 87503095
2-methylpropan-1-ol;zirconium;hydrochloride
CID 174563411
sodium;2-methylpropan-1-ol;chloride
CID 172733950
2-methylpropan-1-ol;titanium;dihydrochloride
CID 174321240
magnesium;hydride;2-methylpropan-1-ol;hydrochloride
CID 173490256
magnesium;hydride;2-methylpropan-1-ol;hydroiodide
CID 174198179
chloroform;2-methylpropan-1-ol
CID 22625576

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;2-methylpropan-1-ol?
The IUPAC name of 2,2-dimethylpropane;2-methylpropan-1-ol (CID 158369394) is 2,2-dimethylpropane;2-methylpropan-1-ol.
What is the SMILES notation for 2,2-dimethylpropane;2-methylpropan-1-ol?
The canonical SMILES for 2,2-dimethylpropane;2-methylpropan-1-ol is CC(C)(C)C.CC(C)CO.
What is the InChIKey of 2,2-dimethylpropane;2-methylpropan-1-ol?
The InChIKey is GUKVDWOAKFFXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H10O/c1-5(2,3)4;1-4(2)3-5/h1-4H3;4-5H,3H2,1-2H3.
What are the key properties of 2,2-dimethylpropane;2-methylpropan-1-ol?
2,2-dimethylpropane;2-methylpropan-1-ol has a molecular weight of 146.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;2-methylpropan-1-ol is sourced from PubChem (CID 158369394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).