(2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol

C6H14O — CID 131667775

IUPAC(2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol
SMILES[2H]C([2H])([2H])[C@@H](CO)C(C)C
InChIInChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3/t6-/m0/s1/i3D3
InChIKeySXSWMAUXEHKFGX-MQQVVAGNSA-N
MW105.20 g/mol
LogP1.27
Rot. Bonds3

About (2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol

(2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol (PubChem CID 131667775) has the molecular formula C6H14O and a molecular weight of 105.20 g/mol. Its IUPAC name is (2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol
PubChem CID131667775
Molecular FormulaC6H14O
Molecular Weight105.20 g/mol
Exact Mass105.12
IUPAC Name(2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol
SMILES[2H]C([2H])([2H])[C@@H](CO)C(C)C
InChIInChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3/t6-/m0/s1/i3D3
InChIKeySXSWMAUXEHKFGX-MQQVVAGNSA-N
XLogP1.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethylbutan-1-ol;ethane;fluoromethane
CID 143378168
2,3-dimethylbutan-1-ol;2-methylbut-2-ene
CID 159485541
2,3,3,3-tetradeuterio-2-methylpropan-1-ol
CID 161454304
3,4-dimethylpentane-1,2,5-triol
CID 91805402
(2R,3S)-2-methyl-3-sulfanylbutan-1-ol
CID 10154043
(2S,3S)-3-methylbutane-1,2,4-triol
CID 10877097
(3R)-2-methyl-3-sulfanylbutan-1-ol
CID 21355819
(2S)-2-methyl-3-sulfanylbutan-1-ol
CID 59085195
1-amino-2,3,4-trimethylpentane-1,5-diol
CID 142052298
3,5-dimethylhexane-1,2,4,6-tetrol
CID 14758507
2,3-dimethylhexane-1,4-diol
CID 57128275
5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol
CID 23315884

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol (CID 131667775) is (2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol is [2H]C([2H])([2H])[C@@H](CO)C(C)C.
What is the InChIKey of (2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol?
The InChIKey is SXSWMAUXEHKFGX-MQQVVAGNSA-N. The full InChI is InChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3/t6-/m0/s1/i3D3.
What are the key properties of (2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol?
(2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol has a molecular weight of 105.20 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol is sourced from PubChem (CID 131667775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).