2-deuteriooxyethanol

C2H6O2 — CID 91203794

IUPAC2-deuteriooxyethanol
SMILES[2H]OCCO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i3D
InChIKeyLYCAIKOWRPUZTN-WFVSFCRTSA-N
MW63.07 g/mol
LogP-1.03
Rot. Bonds2

About 2-deuteriooxyethanol

2-deuteriooxyethanol (PubChem CID 91203794) has the molecular formula C2H6O2 and a molecular weight of 63.07 g/mol. Its IUPAC name is 2-deuteriooxyethanol.

Molecular Properties

Compound Name2-deuteriooxyethanol
PubChem CID91203794
Molecular FormulaC2H6O2
Molecular Weight63.07 g/mol
Exact Mass63.04
IUPAC Name2-deuteriooxyethanol
SMILES[2H]OCCO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i3D
InChIKeyLYCAIKOWRPUZTN-WFVSFCRTSA-N
XLogP-1.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50063.07
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Ethylene Glycol
CID 174
(1,1,2,2-2H4)Ethane-1,2-(2H2)diol
CID 2733139
Ethylene glycol-(OD)2
CID 10986148
1,2-Ethanediol, sodium salt (1:1)
CID 23678159
1,2-Ethanediol, lithium salt (1:1)
CID 23688918
1,2-Ethane-1,1,2,2-d4-diol
CID 2733137
(~13~C_2_)Ethane-1,2-diol
CID 16213434
Poly(ethylene glycol) dimethyl ether (NHD)
CID 445171
Ethylene glycol water
CID 20437942
Ethylene glycol fluoride
CID 19906354
Ethane-1,2-diol--water (1/2)
CID 71414876
Ethylene glycol monosodium salt
CID 86592871

Frequently Asked Questions

What is the IUPAC name of 2-deuteriooxyethanol?
The IUPAC name of 2-deuteriooxyethanol (CID 91203794) is 2-deuteriooxyethanol.
What is the SMILES notation for 2-deuteriooxyethanol?
The canonical SMILES for 2-deuteriooxyethanol is [2H]OCCO.
What is the InChIKey of 2-deuteriooxyethanol?
The InChIKey is LYCAIKOWRPUZTN-WFVSFCRTSA-N. The full InChI is InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i3D.
What are the key properties of 2-deuteriooxyethanol?
2-deuteriooxyethanol has a molecular weight of 63.07 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriooxyethanol is sourced from PubChem (CID 91203794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).