1-deuterio-2,3-dimethylbutane-2,3-diol

C6H14O2 — CID 175701581

IUPAC1-deuterio-2,3-dimethylbutane-2,3-diol
SMILES[2H]CC(C)(O)C(C)(C)O
InChIInChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3/i1D
InChIKeyIVDFJHOHABJVEH-MICDWDOJSA-N
MW119.18 g/mol
LogP0.53
Rot. Bonds2

About 1-deuterio-2,3-dimethylbutane-2,3-diol

1-deuterio-2,3-dimethylbutane-2,3-diol (PubChem CID 175701581) has the molecular formula C6H14O2 and a molecular weight of 119.18 g/mol. Its IUPAC name is 1-deuterio-2,3-dimethylbutane-2,3-diol.

Molecular Properties

Compound Name1-deuterio-2,3-dimethylbutane-2,3-diol
PubChem CID175701581
Molecular FormulaC6H14O2
Molecular Weight119.18 g/mol
Exact Mass119.11
IUPAC Name1-deuterio-2,3-dimethylbutane-2,3-diol
SMILES[2H]CC(C)(O)C(C)(C)O
InChIInChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3/i1D
InChIKeyIVDFJHOHABJVEH-MICDWDOJSA-N
XLogP0.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-2,3-dimethylbutane-2,3-diol?
The IUPAC name of 1-deuterio-2,3-dimethylbutane-2,3-diol (CID 175701581) is 1-deuterio-2,3-dimethylbutane-2,3-diol.
What is the SMILES notation for 1-deuterio-2,3-dimethylbutane-2,3-diol?
The canonical SMILES for 1-deuterio-2,3-dimethylbutane-2,3-diol is [2H]CC(C)(O)C(C)(C)O.
What is the InChIKey of 1-deuterio-2,3-dimethylbutane-2,3-diol?
The InChIKey is IVDFJHOHABJVEH-MICDWDOJSA-N. The full InChI is InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3/i1D.
What are the key properties of 1-deuterio-2,3-dimethylbutane-2,3-diol?
1-deuterio-2,3-dimethylbutane-2,3-diol has a molecular weight of 119.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-2,3-dimethylbutane-2,3-diol is sourced from PubChem (CID 175701581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).