sodium 2-deuterioethanolate

C2H5NaO — CID 175317884

IUPACsodium 2-deuterioethanolate
SMILES[2H]CC[O-].[Na+]
InChIInChI=1S/C2H5O.Na/c1-2-3;/h2H2,1H3;/q-1;+1/i1D;
InChIKeyQDRKDTQENPPHOJ-RWQOXAPSSA-N
MW69.06 g/mol
LogP-3.63
Rot. Bonds1

About sodium 2-deuterioethanolate

sodium 2-deuterioethanolate (PubChem CID 175317884) has the molecular formula C2H5NaO and a molecular weight of 69.06 g/mol. Its IUPAC name is sodium 2-deuterioethanolate.

Molecular Properties

Compound Namesodium 2-deuterioethanolate
PubChem CID175317884
Molecular FormulaC2H5NaO
Molecular Weight69.06 g/mol
Exact Mass69.03
IUPAC Namesodium 2-deuterioethanolate
SMILES[2H]CC[O-].[Na+]
InChIInChI=1S/C2H5O.Na/c1-2-3;/h2H2,1H3;/q-1;+1/i1D;
InChIKeyQDRKDTQENPPHOJ-RWQOXAPSSA-N
XLogP-3.63
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.06
LogP ≤ 5-3.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

diazanium;ethanolate;bromide
CID 141441986
ethanolate;titanium(4+);tribromide
CID 174281065
potassium ethanolate
CID 23670592
ethanolate;vanadium(2+)
CID 160956004
erbium(3+);ethanolate
CID 14029842
ethanolate;niobium
CID 18534493
CID 159434150
CID 159434150
aluminum;alumane;ethanolate
CID 159890458
ethanolate;hafnium(4+);hydroxide
CID 175748705
ethanolate;niobium(5+);tetrafluoride
CID 102346066
triazanium;ethanolate;chloride
CID 141132734
ethanolate;methylazanium
CID 178027876

Frequently Asked Questions

What is the IUPAC name of sodium 2-deuterioethanolate?
The IUPAC name of sodium 2-deuterioethanolate (CID 175317884) is sodium 2-deuterioethanolate.
What is the SMILES notation for sodium 2-deuterioethanolate?
The canonical SMILES for sodium 2-deuterioethanolate is [2H]CC[O-].[Na+].
What is the InChIKey of sodium 2-deuterioethanolate?
The InChIKey is QDRKDTQENPPHOJ-RWQOXAPSSA-N. The full InChI is InChI=1S/C2H5O.Na/c1-2-3;/h2H2,1H3;/q-1;+1/i1D;.
What are the key properties of sodium 2-deuterioethanolate?
sodium 2-deuterioethanolate has a molecular weight of 69.06 g/mol, XLogP of -3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-deuterioethanolate is sourced from PubChem (CID 175317884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).