1-hydroxypropan-2-olate

C3H7O2- — CID 21225559

IUPAC1-hydroxypropan-2-olate
SMILESCC([O-])CO
InChIInChI=1S/C3H7O2/c1-3(5)2-4/h3-4H,2H2,1H3/q-1
InChIKeyYFTXVEJQYXIXDH-UHFFFAOYSA-N
MW75.09 g/mol
LogP-1.27
Rot. Bonds1

About 1-hydroxypropan-2-olate

1-hydroxypropan-2-olate (PubChem CID 21225559) has the molecular formula C3H7O2- and a molecular weight of 75.09 g/mol. Its IUPAC name is 1-hydroxypropan-2-olate.

Molecular Properties

Compound Name1-hydroxypropan-2-olate
PubChem CID21225559
Molecular FormulaC3H7O2-
Molecular Weight75.09 g/mol
Exact Mass75.05
IUPAC Name1-hydroxypropan-2-olate
SMILESCC([O-])CO
InChIInChI=1S/C3H7O2/c1-3(5)2-4/h3-4H,2H2,1H3/q-1
InChIKeyYFTXVEJQYXIXDH-UHFFFAOYSA-N
XLogP-1.27
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.09
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropan-1-ol;zinc
CID 151745482
CID 131872176
CID 131872176
azane;tris(2-methylpropan-1-ol)
CID 175819145
propane-1,2-diol
CID 23506506
2-methylpropan-1-ol;zirconium(3+)
CID 150803706
lanthanum;tris(2-methylpropan-1-ol)
CID 140708551
tris(2-methylpropan-1-ol);titanium
CID 87503095
aluminum;propan-1-ol;tris(propan-2-olate)
CID 175745399
potassium;2-methylpropan-1-ol;2-methylpropan-1-olate
CID 23676528
2-methylpropan-1-ol;zirconium;hydrochloride
CID 174563411
trilithium;tris(butan-2-olate)
CID 162372928
sodium;2-methylpropan-1-ol;chloride
CID 172733950

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-olate?
The IUPAC name of 1-hydroxypropan-2-olate (CID 21225559) is 1-hydroxypropan-2-olate.
What is the SMILES notation for 1-hydroxypropan-2-olate?
The canonical SMILES for 1-hydroxypropan-2-olate is CC([O-])CO.
What is the InChIKey of 1-hydroxypropan-2-olate?
The InChIKey is YFTXVEJQYXIXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2/c1-3(5)2-4/h3-4H,2H2,1H3/q-1.
What are the key properties of 1-hydroxypropan-2-olate?
1-hydroxypropan-2-olate has a molecular weight of 75.09 g/mol, XLogP of -1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-olate is sourced from PubChem (CID 21225559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).