1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one

C7H14O3 — CID 57241276

IUPAC1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(C)(C)OCC(=O)CO
InChIInChI=1S/C7H14O3/c1-7(2,3)10-5-6(9)4-8/h8H,4-5H2,1-3H3
InChIKeyVAMNQNWKZAWREH-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.36
Rot. Bonds3

About 1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one

1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 57241276) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one
PubChem CID57241276
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(C)(C)OCC(=O)CO
InChIInChI=1S/C7H14O3/c1-7(2,3)10-5-6(9)4-8/h8H,4-5H2,1-3H3
InChIKeyVAMNQNWKZAWREH-UHFFFAOYSA-N
XLogP0.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butoxy-3-hydroxypropan-2-one
CID 88962189
1-Hydroxy-3-propoxyacetone
CID 11988285
1-Ethoxy-3-hydroxyacetone
CID 11988286
1-Hydroxy-3-methoxy-2-propanone
CID 14926651
1-Hydroxy-3-(2-oxopropoxy)propan-2-one
CID 20197192
3,3'-Oxybis(1-hydroxypropan-2-one)
CID 45109796
1-Ethoxy-3-hydroxybutan-2-one
CID 54076887
1-Hydroxy-3-propan-2-yloxypropan-2-one
CID 57269471
CID 58960769
CID 58960769
1-Ethoxypropan-2-one;methanol
CID 88220907
1-(3-Hydroxypropoxy)propan-2-one
CID 88739409
1-(3-Hydroxy-2-oxopropoxy)butan-2-one
CID 89848271

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one?
The IUPAC name of 1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 57241276) is 1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one.
What is the SMILES notation for 1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one?
The canonical SMILES for 1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(C)(C)OCC(=O)CO.
What is the InChIKey of 1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one?
The InChIKey is VAMNQNWKZAWREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(2,3)10-5-6(9)4-8/h8H,4-5H2,1-3H3.
What are the key properties of 1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one?
1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 146.19 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 57241276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).