dideuterio(oxiran-2-yl)methanol

C3H6O2 — CID 10486794

IUPACdideuterio(oxiran-2-yl)methanol
SMILES[2H]C([2H])(O)C1CO1
InChIInChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/i1D2
InChIKeyCTKINSOISVBQLD-DICFDUPASA-N
MW76.09 g/mol
LogP-0.62
Rot. Bonds1

About dideuterio(oxiran-2-yl)methanol

dideuterio(oxiran-2-yl)methanol (PubChem CID 10486794) has the molecular formula C3H6O2 and a molecular weight of 76.09 g/mol. Its IUPAC name is dideuterio(oxiran-2-yl)methanol.

Molecular Properties

Compound Namedideuterio(oxiran-2-yl)methanol
PubChem CID10486794
Molecular FormulaC3H6O2
Molecular Weight76.09 g/mol
Exact Mass76.05
IUPAC Namedideuterio(oxiran-2-yl)methanol
SMILES[2H]C([2H])(O)C1CO1
InChIInChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/i1D2
InChIKeyCTKINSOISVBQLD-DICFDUPASA-N
XLogP-0.62
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.09
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

molecular iodine;oxiran-2-ylmethanol
CID 159687317
oxiran-2-ylmethanol;propane
CID 91466926
ethane-1,2-diol;2-ethyloxirane
CID 23290341
CID 175496207
CID 175496207
methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)
CID 159329704
cyanic acid;oxiran-2-ylmethanol
CID 175278425
oxiran-2-ylmethanol;phosphoric acid
CID 87891587
2-(chloro(113C)methyl)(2,3-13C2)oxirane
CID 76973011
(5-amino-1,4-dioxan-2-yl)methanol
CID 155158463
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-methylpropan-1-ol;oxiran-2-ylmethanol
CID 174774669
bicyclo[2.2.2]octa-1,3,5,7-tetraene;oxiran-2-ylmethanol
CID 23187370

Frequently Asked Questions

What is the IUPAC name of dideuterio(oxiran-2-yl)methanol?
The IUPAC name of dideuterio(oxiran-2-yl)methanol (CID 10486794) is dideuterio(oxiran-2-yl)methanol.
What is the SMILES notation for dideuterio(oxiran-2-yl)methanol?
The canonical SMILES for dideuterio(oxiran-2-yl)methanol is [2H]C([2H])(O)C1CO1.
What is the InChIKey of dideuterio(oxiran-2-yl)methanol?
The InChIKey is CTKINSOISVBQLD-DICFDUPASA-N. The full InChI is InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/i1D2.
What are the key properties of dideuterio(oxiran-2-yl)methanol?
dideuterio(oxiran-2-yl)methanol has a molecular weight of 76.09 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio(oxiran-2-yl)methanol is sourced from PubChem (CID 10486794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).