2,3,3,3-tetradeuterio-2-methylpropan-1-ol

C4H10O — CID 161454304

IUPAC2,3,3,3-tetradeuterio-2-methylpropan-1-ol
SMILES[2H]C([2H])([2H])C([2H])(C)CO
InChIInChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3/i1D3,4D
InChIKeyZXEKIIBDNHEJCQ-VZOYEPQBSA-N
MW78.15 g/mol
LogP0.63
Rot. Bonds2

About 2,3,3,3-tetradeuterio-2-methylpropan-1-ol

2,3,3,3-tetradeuterio-2-methylpropan-1-ol (PubChem CID 161454304) has the molecular formula C4H10O and a molecular weight of 78.15 g/mol. Its IUPAC name is 2,3,3,3-tetradeuterio-2-methylpropan-1-ol.

Molecular Properties

Compound Name2,3,3,3-tetradeuterio-2-methylpropan-1-ol
PubChem CID161454304
Molecular FormulaC4H10O
Molecular Weight78.15 g/mol
Exact Mass78.10
IUPAC Name2,3,3,3-tetradeuterio-2-methylpropan-1-ol
SMILES[2H]C([2H])([2H])C([2H])(C)CO
InChIInChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3/i1D3,4D
InChIKeyZXEKIIBDNHEJCQ-VZOYEPQBSA-N
XLogP0.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.15
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetradeuterio-2-methylpropan-1-ol?
The IUPAC name of 2,3,3,3-tetradeuterio-2-methylpropan-1-ol (CID 161454304) is 2,3,3,3-tetradeuterio-2-methylpropan-1-ol.
What is the SMILES notation for 2,3,3,3-tetradeuterio-2-methylpropan-1-ol?
The canonical SMILES for 2,3,3,3-tetradeuterio-2-methylpropan-1-ol is [2H]C([2H])([2H])C([2H])(C)CO.
What is the InChIKey of 2,3,3,3-tetradeuterio-2-methylpropan-1-ol?
The InChIKey is ZXEKIIBDNHEJCQ-VZOYEPQBSA-N. The full InChI is InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3/i1D3,4D.
What are the key properties of 2,3,3,3-tetradeuterio-2-methylpropan-1-ol?
2,3,3,3-tetradeuterio-2-methylpropan-1-ol has a molecular weight of 78.15 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetradeuterio-2-methylpropan-1-ol is sourced from PubChem (CID 161454304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).