(2S,3R)-3-deuteriobutan-2-ol

C4H10O — CID 25240108

IUPAC(2S,3R)-3-deuteriobutan-2-ol
SMILES[2H][C@H](C)[C@H](C)O
InChIInChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1/i3D/t3-,4+/m1
InChIKeyBTANRVKWQNVYAZ-ITEPJMEFSA-N
MW75.13 g/mol
LogP0.78
Rot. Bonds1

About (2S,3R)-3-deuteriobutan-2-ol

(2S,3R)-3-deuteriobutan-2-ol (PubChem CID 25240108) has the molecular formula C4H10O and a molecular weight of 75.13 g/mol. Its IUPAC name is (2S,3R)-3-deuteriobutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-deuteriobutan-2-ol
PubChem CID25240108
Molecular FormulaC4H10O
Molecular Weight75.13 g/mol
Exact Mass75.08
IUPAC Name(2S,3R)-3-deuteriobutan-2-ol
SMILES[2H][C@H](C)[C@H](C)O
InChIInChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1/i3D/t3-,4+/m1
InChIKeyBTANRVKWQNVYAZ-ITEPJMEFSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.13
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
tris(butan-2-ol);gallane
CID 175569742
(2S)-3,3-dideuterio-4-methylpentan-2-ol
CID 176842427
butan-2-ol;ethanol
CID 174347632
butan-2-ol;ethanol
CID 87396559
bis(butan-2-ol);carbanide;tantalum
CID 22416357
(2R)-pentan-2-ol
CID 7014876
barium(2+);butan-2-ol;hydride;hydrate
CID 174746471
propane-1,2-diol
CID 23506506
2-deuterio-3-hydroxybutanal
CID 175692104

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-deuteriobutan-2-ol?
The IUPAC name of (2S,3R)-3-deuteriobutan-2-ol (CID 25240108) is (2S,3R)-3-deuteriobutan-2-ol.
What is the SMILES notation for (2S,3R)-3-deuteriobutan-2-ol?
The canonical SMILES for (2S,3R)-3-deuteriobutan-2-ol is [2H][C@H](C)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-deuteriobutan-2-ol?
The InChIKey is BTANRVKWQNVYAZ-ITEPJMEFSA-N. The full InChI is InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1/i3D/t3-,4+/m1.
What are the key properties of (2S,3R)-3-deuteriobutan-2-ol?
(2S,3R)-3-deuteriobutan-2-ol has a molecular weight of 75.13 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-deuteriobutan-2-ol is sourced from PubChem (CID 25240108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).