2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one

C9H16O3 — CID 107136046

IUPAC2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
SMILESCC(C)(O)C(=O)C1CCCOC1
InChIInChI=1S/C9H16O3/c1-9(2,11)8(10)7-4-3-5-12-6-7/h7,11H,3-6H2,1-2H3
InChIKeyLEIDWIDIIPIGRX-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.75
Rot. Bonds2

About 2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one

2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one (PubChem CID 107136046) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
PubChem CID107136046
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
SMILESCC(C)(O)C(=O)C1CCCOC1
InChIInChI=1S/C9H16O3/c1-9(2,11)8(10)7-4-3-5-12-6-7/h7,11H,3-6H2,1-2H3
InChIKeyLEIDWIDIIPIGRX-UHFFFAOYSA-N
XLogP0.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
CID 130562345
2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 107135922
2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one
CID 107138320
2-amino-2-methyl-1-(oxan-3-yl)butan-1-one
CID 107138432
2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136019
2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one
CID 107135929
(3R)-oxane-3-carboxylic acid
CID 42554318
N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide
CID 167749080
oxane-3-carboxamide
CID 22714381
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566
methyl (3R)-oxane-3-carboxylate
CID 86306897
4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one
CID 107138368

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one (CID 107136046) is 2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one is CC(C)(O)C(=O)C1CCCOC1.
What is the InChIKey of 2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one?
The InChIKey is LEIDWIDIIPIGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(2,11)8(10)7-4-3-5-12-6-7/h7,11H,3-6H2,1-2H3.
What are the key properties of 2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one?
2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one has a molecular weight of 172.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one is sourced from PubChem (CID 107136046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).