1,1-dideuteriopentan-2-ol

C5H12O — CID 142514784

IUPAC1,1-dideuteriopentan-2-ol
SMILES[2H]C([2H])C(O)CCC
InChIInChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/i2D2
InChIKeyJYVLIDXNZAXMDK-CBTSVUPCSA-N
MW90.16 g/mol
LogP1.17
Rot. Bonds3

About 1,1-dideuteriopentan-2-ol

1,1-dideuteriopentan-2-ol (PubChem CID 142514784) has the molecular formula C5H12O and a molecular weight of 90.16 g/mol. Its IUPAC name is 1,1-dideuteriopentan-2-ol.

Molecular Properties

Compound Name1,1-dideuteriopentan-2-ol
PubChem CID142514784
Molecular FormulaC5H12O
Molecular Weight90.16 g/mol
Exact Mass90.10
IUPAC Name1,1-dideuteriopentan-2-ol
SMILES[2H]C([2H])C(O)CCC
InChIInChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/i2D2
InChIKeyJYVLIDXNZAXMDK-CBTSVUPCSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-pentan-2-ol
CID 7014876
cyclohexane;pentan-2-ol
CID 67677243
hexan-2-ol;pentan-2-ol
CID 88680973
ethoxyethane;(2S)-pentan-2-ol
CID 157362053
(4R,8R)-undecane-4,8-diol
CID 101372142
2-methylbutan-2-ol;pentan-2-ol
CID 157230462
butane;butane-1,1-diol
CID 87427051
octane-4,5-diol;hydrate
CID 141056272
butane-1,1-diol;hydrate
CID 87459661
bis(butane-1,1-diol);dihydrochloride
CID 173010024
1-heptan-4-yloxypropan-2-ol
CID 140681787
(2S)-2-hydroxypentanenitrile
CID 12548639

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuteriopentan-2-ol?
The IUPAC name of 1,1-dideuteriopentan-2-ol (CID 142514784) is 1,1-dideuteriopentan-2-ol.
What is the SMILES notation for 1,1-dideuteriopentan-2-ol?
The canonical SMILES for 1,1-dideuteriopentan-2-ol is [2H]C([2H])C(O)CCC.
What is the InChIKey of 1,1-dideuteriopentan-2-ol?
The InChIKey is JYVLIDXNZAXMDK-CBTSVUPCSA-N. The full InChI is InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/i2D2.
What are the key properties of 1,1-dideuteriopentan-2-ol?
1,1-dideuteriopentan-2-ol has a molecular weight of 90.16 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuteriopentan-2-ol is sourced from PubChem (CID 142514784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).