2-methylpropan-2-ol;hydrate

C4H12O2 — CID 71401949

IUPAC2-methylpropan-2-ol;hydrate
SMILESCC(C)(C)O.O
InChIInChI=1S/C4H10O.H2O/c1-4(2,3)5;/h5H,1-3H3;1H2
InChIKeyZQXSFZAMFNRZOQ-UHFFFAOYSA-N
MW92.14 g/mol
LogP-0.05
Rot. Bonds

About 2-methylpropan-2-ol;hydrate

2-methylpropan-2-ol;hydrate (PubChem CID 71401949) has the molecular formula C4H12O2 and a molecular weight of 92.14 g/mol. Its IUPAC name is 2-methylpropan-2-ol;hydrate.

Molecular Properties

Compound Name2-methylpropan-2-ol;hydrate
PubChem CID71401949
Molecular FormulaC4H12O2
Molecular Weight92.14 g/mol
Exact Mass92.08
IUPAC Name2-methylpropan-2-ol;hydrate
SMILESCC(C)(C)O.O
InChIInChI=1S/C4H10O.H2O/c1-4(2,3)5;/h5H,1-3H3;1H2
InChIKeyZQXSFZAMFNRZOQ-UHFFFAOYSA-N
XLogP-0.05
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-2-butanol
CID 6405
tert-Butanol
CID 6386
tert-Butyl hydroperoxide
CID 6410
tert-Amyl hydroperoxide
CID 76962
Potassium tert-butoxide
CID 86639980
Sodium tert-butoxide
CID 45051916
2-methylpropan-2-(2H)ol
CID 517695
(2H10)-2-Methylpropan-2-ol
CID 2723971
2-(~2~H_3_)Methyl(~2~H_6_)propan-2-ol
CID 12985037
1-Fluoro-2-methylpropan-2-ol
CID 10964414
2-Methylpropan-2-ol--zirconium (1/1)
CID 25200170
2-(~13~C)Methyl(~13~C_3_)propan-2-ol
CID 24872149

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-ol;hydrate?
The IUPAC name of 2-methylpropan-2-ol;hydrate (CID 71401949) is 2-methylpropan-2-ol;hydrate.
What is the SMILES notation for 2-methylpropan-2-ol;hydrate?
The canonical SMILES for 2-methylpropan-2-ol;hydrate is CC(C)(C)O.O.
What is the InChIKey of 2-methylpropan-2-ol;hydrate?
The InChIKey is ZQXSFZAMFNRZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.H2O/c1-4(2,3)5;/h5H,1-3H3;1H2.
What are the key properties of 2-methylpropan-2-ol;hydrate?
2-methylpropan-2-ol;hydrate has a molecular weight of 92.14 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-ol;hydrate is sourced from PubChem (CID 71401949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).