(2R)-2-deuteriobutane-1,4-diol

C4H10O2 — CID 25240091

IUPAC(2R)-2-deuteriobutane-1,4-diol
SMILES[2H][C@@H](CO)CCO
InChIInChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2/i1D/t1-/m1/s1
InChIKeyWERYXYBDKMZEQL-KLFDDBSISA-N
MW91.13 g/mol
LogP-0.25
Rot. Bonds3

About (2R)-2-deuteriobutane-1,4-diol

(2R)-2-deuteriobutane-1,4-diol (PubChem CID 25240091) has the molecular formula C4H10O2 and a molecular weight of 91.13 g/mol. Its IUPAC name is (2R)-2-deuteriobutane-1,4-diol.

Molecular Properties

Compound Name(2R)-2-deuteriobutane-1,4-diol
PubChem CID25240091
Molecular FormulaC4H10O2
Molecular Weight91.13 g/mol
Exact Mass91.07
IUPAC Name(2R)-2-deuteriobutane-1,4-diol
SMILES[2H][C@@H](CO)CCO
InChIInChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2/i1D/t1-/m1/s1
InChIKeyWERYXYBDKMZEQL-KLFDDBSISA-N
XLogP-0.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2,5,6-trideuteriohexan-1-ol
CID 46844235
1,1-dideuterio(113C)hexane-1,6-diol
CID 87228884
azane;octakis(butane-1,4-diol)
CID 173377605
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
butane-1,4-diol;zinc
CID 170696072
CID 157146691
CID 157146691
tricosane-1,23-diol
CID 25144332
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508

Frequently Asked Questions

What is the IUPAC name of (2R)-2-deuteriobutane-1,4-diol?
The IUPAC name of (2R)-2-deuteriobutane-1,4-diol (CID 25240091) is (2R)-2-deuteriobutane-1,4-diol.
What is the SMILES notation for (2R)-2-deuteriobutane-1,4-diol?
The canonical SMILES for (2R)-2-deuteriobutane-1,4-diol is [2H][C@@H](CO)CCO.
What is the InChIKey of (2R)-2-deuteriobutane-1,4-diol?
The InChIKey is WERYXYBDKMZEQL-KLFDDBSISA-N. The full InChI is InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2/i1D/t1-/m1/s1.
What are the key properties of (2R)-2-deuteriobutane-1,4-diol?
(2R)-2-deuteriobutane-1,4-diol has a molecular weight of 91.13 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-deuteriobutane-1,4-diol is sourced from PubChem (CID 25240091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).