2-methylpropan-2-ol;propan-2-one;hydrate

C7H18O3 — CID 86602953

IUPAC2-methylpropan-2-ol;propan-2-one;hydrate
SMILESCC(C)(C)O.CC(C)=O.O
InChIInChI=1S/C4H10O.C3H6O.H2O/c1-4(2,3)5;1-3(2)4;/h5H,1-3H3;1-2H3;1H2
InChIKeyBAKNSUFXFPJTFI-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.55
Rot. Bonds

About 2-methylpropan-2-ol;propan-2-one;hydrate

2-methylpropan-2-ol;propan-2-one;hydrate (PubChem CID 86602953) has the molecular formula C7H18O3 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methylpropan-2-ol;propan-2-one;hydrate.

Molecular Properties

Compound Name2-methylpropan-2-ol;propan-2-one;hydrate
PubChem CID86602953
Molecular FormulaC7H18O3
Molecular Weight150.22 g/mol
Exact Mass150.13
IUPAC Name2-methylpropan-2-ol;propan-2-one;hydrate
SMILESCC(C)(C)O.CC(C)=O.O
InChIInChI=1S/C4H10O.C3H6O.H2O/c1-4(2,3)5;1-3(2)4;/h5H,1-3H3;1-2H3;1H2
InChIKeyBAKNSUFXFPJTFI-UHFFFAOYSA-N
XLogP0.55
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

carbonic acid;2-methylpropan-2-ol
CID 87955021
methanol;propan-2-one;dihydrate
CID 158013024
methanol;propan-2-one;hydrate
CID 86590524
1-methoxyethane-1,1-diol;propan-2-one
CID 88831633
hydrazine;propan-2-one;dihydrate
CID 18407837
tetrakis(2-methylpropan-2-ol);oxomolybdenum
CID 154620441
3,4-dihydroxy-3,4-dimethylhexane-2,5-dione
CID 538401
argon;propan-2-one
CID 19604749
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;molybdenum
CID 174435313
2-methylpropan-2-ol;titanium(4+)
CID 159912750
2-methylpropan-2-ol;neodymium
CID 154348927

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-ol;propan-2-one;hydrate?
The IUPAC name of 2-methylpropan-2-ol;propan-2-one;hydrate (CID 86602953) is 2-methylpropan-2-ol;propan-2-one;hydrate.
What is the SMILES notation for 2-methylpropan-2-ol;propan-2-one;hydrate?
The canonical SMILES for 2-methylpropan-2-ol;propan-2-one;hydrate is CC(C)(C)O.CC(C)=O.O.
What is the InChIKey of 2-methylpropan-2-ol;propan-2-one;hydrate?
The InChIKey is BAKNSUFXFPJTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6O.H2O/c1-4(2,3)5;1-3(2)4;/h5H,1-3H3;1-2H3;1H2.
What are the key properties of 2-methylpropan-2-ol;propan-2-one;hydrate?
2-methylpropan-2-ol;propan-2-one;hydrate has a molecular weight of 150.22 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-ol;propan-2-one;hydrate is sourced from PubChem (CID 86602953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).