1,1-dideuterio-2-methylpropan-1-ol

C4H10O — CID 59842639

IUPAC1,1-dideuterio-2-methylpropan-1-ol
SMILES[2H]C([2H])(O)C(C)C
InChIInChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3/i3D2
InChIKeyZXEKIIBDNHEJCQ-SMZGMGDZSA-N
MW76.14 g/mol
LogP0.63
Rot. Bonds1

About 1,1-dideuterio-2-methylpropan-1-ol

1,1-dideuterio-2-methylpropan-1-ol (PubChem CID 59842639) has the molecular formula C4H10O and a molecular weight of 76.14 g/mol. Its IUPAC name is 1,1-dideuterio-2-methylpropan-1-ol.

Molecular Properties

Compound Name1,1-dideuterio-2-methylpropan-1-ol
PubChem CID59842639
Molecular FormulaC4H10O
Molecular Weight76.14 g/mol
Exact Mass76.09
IUPAC Name1,1-dideuterio-2-methylpropan-1-ol
SMILES[2H]C([2H])(O)C(C)C
InChIInChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3/i3D2
InChIKeyZXEKIIBDNHEJCQ-SMZGMGDZSA-N
XLogP0.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.14
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Butanol
CID 263
Isobutanol
CID 6560
1-Propanol
CID 1031
2-Methyl-1-butanol
CID 8723
Isoamyl Alcohol
CID 31260
Methylpropanediol
CID 75103
3-Methyl-2-butanol
CID 11732
Neopentyl alcohol
CID 6404
(S)-2-methyl-1-butanol
CID 2723602
1-Butanol-d10
CID 2733134
2,3-Dimethylbutan-1-ol
CID 29656
2-Methyl-1-butanol, (+)-
CID 637572

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-2-methylpropan-1-ol?
The IUPAC name of 1,1-dideuterio-2-methylpropan-1-ol (CID 59842639) is 1,1-dideuterio-2-methylpropan-1-ol.
What is the SMILES notation for 1,1-dideuterio-2-methylpropan-1-ol?
The canonical SMILES for 1,1-dideuterio-2-methylpropan-1-ol is [2H]C([2H])(O)C(C)C.
What is the InChIKey of 1,1-dideuterio-2-methylpropan-1-ol?
The InChIKey is ZXEKIIBDNHEJCQ-SMZGMGDZSA-N. The full InChI is InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3/i3D2.
What are the key properties of 1,1-dideuterio-2-methylpropan-1-ol?
1,1-dideuterio-2-methylpropan-1-ol has a molecular weight of 76.14 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-2-methylpropan-1-ol is sourced from PubChem (CID 59842639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).