2,2,3,3-tetradeuteriopentan-1-ol

C5H12O — CID 159796490

IUPAC2,2,3,3-tetradeuteriopentan-1-ol
SMILES[2H]C([2H])(CC)C([2H])([2H])CO
InChIInChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3/i3D2,4D2
InChIKeyAMQJEAYHLZJPGS-KHORGVISSA-N
MW92.17 g/mol
LogP1.17
Rot. Bonds3

About 2,2,3,3-tetradeuteriopentan-1-ol

2,2,3,3-tetradeuteriopentan-1-ol (PubChem CID 159796490) has the molecular formula C5H12O and a molecular weight of 92.17 g/mol. Its IUPAC name is 2,2,3,3-tetradeuteriopentan-1-ol.

Molecular Properties

Compound Name2,2,3,3-tetradeuteriopentan-1-ol
PubChem CID159796490
Molecular FormulaC5H12O
Molecular Weight92.17 g/mol
Exact Mass92.11
IUPAC Name2,2,3,3-tetradeuteriopentan-1-ol
SMILES[2H]C([2H])(CC)C([2H])([2H])CO
InChIInChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3/i3D2,4D2
InChIKeyAMQJEAYHLZJPGS-KHORGVISSA-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 ≤ 50092.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dideuteriopentan-1-ol
CID 23271014
propan-1-ol;sulfanide
CID 19710776
propan-1-ol;hydroiodide
CID 126649388
bis(propan-1-ol);yttrium
CID 20652670
phosphane;tris(propan-1-ol)
CID 172777513
CID 6391766
CID 6391766
niobium;hexakis(propan-1-ol)
CID 142301963
nickel;propan-1-ol
CID 22476953
1,1,2,2,3-pentadeuteriobutan-1-ol
CID 140879138
methane;bis(propan-1-ol);tungsten
CID 161195602
tris(propan-1-ol);zirconium;chloride
CID 18944786
methanol;propan-1-ol;zinc
CID 150799125

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetradeuteriopentan-1-ol?
The IUPAC name of 2,2,3,3-tetradeuteriopentan-1-ol (CID 159796490) is 2,2,3,3-tetradeuteriopentan-1-ol.
What is the SMILES notation for 2,2,3,3-tetradeuteriopentan-1-ol?
The canonical SMILES for 2,2,3,3-tetradeuteriopentan-1-ol is [2H]C([2H])(CC)C([2H])([2H])CO.
What is the InChIKey of 2,2,3,3-tetradeuteriopentan-1-ol?
The InChIKey is AMQJEAYHLZJPGS-KHORGVISSA-N. The full InChI is InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3/i3D2,4D2.
What are the key properties of 2,2,3,3-tetradeuteriopentan-1-ol?
2,2,3,3-tetradeuteriopentan-1-ol has a molecular weight of 92.17 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 2,2,3,3-tetradeuteriopentan-1-ol is sourced from PubChem (CID 159796490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).