2-Hydroxy-1-methylethyldioxy

C3H7O3 — CID 132575456

IUPAC—
SMILESCC(CO)O[O]
InChIInChI=1S/C3H7O3/c1-3(2-4)6-5/h3-4H,2H2,1H3
InChIKeyWIGWWTFOYYDYIR-UHFFFAOYSA-N
MW91.09 g/mol
LogP-0.27
Rot. Bonds2

About 2-Hydroxy-1-methylethyldioxy

2-Hydroxy-1-methylethyldioxy (PubChem CID 132575456) has the molecular formula C3H7O3 and a molecular weight of 91.09 g/mol.

Molecular Properties

Compound Name2-Hydroxy-1-methylethyldioxy
PubChem CID132575456
Molecular FormulaC3H7O3
Molecular Weight91.09 g/mol
Exact Mass91.04
IUPAC Name—
SMILESCC(CO)O[O]
InChIInChI=1S/C3H7O3/c1-3(2-4)6-5/h3-4H,2H2,1H3
InChIKeyWIGWWTFOYYDYIR-UHFFFAOYSA-N
XLogP-0.27
TPSA49.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.09
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

bis(1-hydroxypropan-2-yl) carbonate
CID 87589930
1-hydroxypropan-2-yl formate
CID 22152793
2-(1-hydroxypropan-2-yloxy)propane-1,3-diol
CID 54551679
2-(1-hydroxypropan-2-yloxy)acetic acid
CID 23129856
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 167060953
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
(2S)-2-(1-aminoethoxy)propan-1-ol
CID 142604157
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
ethane;2-methylpropane-1,3-diol
CID 87127502
2-diethylphosphoryloxypropan-1-ol
CID 137435698
(2R)-2-(methoxymethoxy)propan-1-ol
CID 10975472
2-[amino(1-hydroxypropan-2-yloxy)amino]oxypropan-1-ol
CID 101409986

Frequently Asked Questions

What is the IUPAC name of 2-Hydroxy-1-methylethyldioxy?
The IUPAC name of 2-Hydroxy-1-methylethyldioxy (CID 132575456) is not available.
What is the SMILES notation for 2-Hydroxy-1-methylethyldioxy?
The canonical SMILES for 2-Hydroxy-1-methylethyldioxy is CC(CO)O[O].
What is the InChIKey of 2-Hydroxy-1-methylethyldioxy?
The InChIKey is WIGWWTFOYYDYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3/c1-3(2-4)6-5/h3-4H,2H2,1H3.
What are the key properties of 2-Hydroxy-1-methylethyldioxy?
2-Hydroxy-1-methylethyldioxy has a molecular weight of 91.09 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Hydroxy-1-methylethyldioxy is sourced from PubChem (CID 132575456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).