sodium 1-methoxypropan-2-olate

C4H9NaO2 — CID 23683611

IUPACsodium 1-methoxypropan-2-olate
SMILESCOCC(C)[O-].[Na+]
InChIInChI=1S/C4H9O2.Na/c1-4(5)3-6-2;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyIDRHYOHDFQOSHM-UHFFFAOYSA-N
MW112.10 g/mol
LogP-3.61
Rot. Bonds2

About sodium 1-methoxypropan-2-olate

sodium 1-methoxypropan-2-olate (PubChem CID 23683611) has the molecular formula C4H9NaO2 and a molecular weight of 112.10 g/mol. Its IUPAC name is sodium 1-methoxypropan-2-olate.

Molecular Properties

Compound Namesodium 1-methoxypropan-2-olate
PubChem CID23683611
Molecular FormulaC4H9NaO2
Molecular Weight112.10 g/mol
Exact Mass112.05
IUPAC Namesodium 1-methoxypropan-2-olate
SMILESCOCC(C)[O-].[Na+]
InChIInChI=1S/C4H9O2.Na/c1-4(5)3-6-2;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyIDRHYOHDFQOSHM-UHFFFAOYSA-N
XLogP-3.61
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.10
LogP ≤ 5-3.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 1-methoxypropan-2-olate?
The IUPAC name of sodium 1-methoxypropan-2-olate (CID 23683611) is sodium 1-methoxypropan-2-olate.
What is the SMILES notation for sodium 1-methoxypropan-2-olate?
The canonical SMILES for sodium 1-methoxypropan-2-olate is COCC(C)[O-].[Na+].
What is the InChIKey of sodium 1-methoxypropan-2-olate?
The InChIKey is IDRHYOHDFQOSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2.Na/c1-4(5)3-6-2;/h4H,3H2,1-2H3;/q-1;+1.
What are the key properties of sodium 1-methoxypropan-2-olate?
sodium 1-methoxypropan-2-olate has a molecular weight of 112.10 g/mol, XLogP of -3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-methoxypropan-2-olate is sourced from PubChem (CID 23683611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).