1,1,1,2,3-pentadeuteriopentan-2-ol

C5H12O — CID 178022826

IUPAC1,1,1,2,3-pentadeuteriopentan-2-ol
SMILES[2H]C(CC)C([2H])(O)C([2H])([2H])[2H]
InChIInChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/i2D3,4D,5D
InChIKeyJYVLIDXNZAXMDK-VMJINSEISA-N
MW93.18 g/mol
LogP1.17
Rot. Bonds3

About 1,1,1,2,3-pentadeuteriopentan-2-ol

1,1,1,2,3-pentadeuteriopentan-2-ol (PubChem CID 178022826) has the molecular formula C5H12O and a molecular weight of 93.18 g/mol. Its IUPAC name is 1,1,1,2,3-pentadeuteriopentan-2-ol.

Molecular Properties

Compound Name1,1,1,2,3-pentadeuteriopentan-2-ol
PubChem CID178022826
Molecular FormulaC5H12O
Molecular Weight93.18 g/mol
Exact Mass93.12
IUPAC Name1,1,1,2,3-pentadeuteriopentan-2-ol
SMILES[2H]C(CC)C([2H])(O)C([2H])([2H])[2H]
InChIInChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/i2D3,4D,5D
InChIKeyJYVLIDXNZAXMDK-VMJINSEISA-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 ≤ 50093.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,2,3,3,3-hexadeuteriopropane-1,2-diol
CID 71309005
1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol
CID 123598986
1,1,1-tris(sulfanyl)pentan-2-ol
CID 89422336
3-deuterio-4-methylhexane
CID 173217446
(2S)-1,1,1,3,3-pentadeuteriobutan-2-amine
CID 171382411
(2S,3R)-3-deuteriobutan-2-ol
CID 25240108
1,1-dideuteriopentan-2-ol
CID 142514784
(3S)-2,2,3-trideuterio-4-methyl-3-(trideuteriomethyl)pentane
CID 159519461
(2S,3R)-4,4-dideuterio-2-methylpentane-1,2,3-triol
CID 11007962
(2S)-2-hydroxypentanenitrile
CID 12548639
(3R)-hex-1-yn-3-ol
CID 6999992
3,6-dideuteriododec-9-en-4-ol
CID 175813049

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3-pentadeuteriopentan-2-ol?
The IUPAC name of 1,1,1,2,3-pentadeuteriopentan-2-ol (CID 178022826) is 1,1,1,2,3-pentadeuteriopentan-2-ol.
What is the SMILES notation for 1,1,1,2,3-pentadeuteriopentan-2-ol?
The canonical SMILES for 1,1,1,2,3-pentadeuteriopentan-2-ol is [2H]C(CC)C([2H])(O)C([2H])([2H])[2H].
What is the InChIKey of 1,1,1,2,3-pentadeuteriopentan-2-ol?
The InChIKey is JYVLIDXNZAXMDK-VMJINSEISA-N. The full InChI is InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/i2D3,4D,5D.
What are the key properties of 1,1,1,2,3-pentadeuteriopentan-2-ol?
1,1,1,2,3-pentadeuteriopentan-2-ol has a molecular weight of 93.18 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 1,1,1,2,3-pentadeuteriopentan-2-ol is sourced from PubChem (CID 178022826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).