(1,2,2,3,3-pentadeuteriocyclopropyl)methanol

C4H8O — CID 169436874

IUPAC(1,2,2,3,3-pentadeuteriocyclopropyl)methanol
SMILES[2H]C1([2H])C([2H])([2H])C1([2H])CO
InChIInChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2/i1D2,2D2,4D
InChIKeyGUDMZGLFZNLYEY-NTCSNYSNSA-N
MW77.14 g/mol
LogP0.39
Rot. Bonds1

About (1,2,2,3,3-pentadeuteriocyclopropyl)methanol

(1,2,2,3,3-pentadeuteriocyclopropyl)methanol (PubChem CID 169436874) has the molecular formula C4H8O and a molecular weight of 77.14 g/mol. Its IUPAC name is (1,2,2,3,3-pentadeuteriocyclopropyl)methanol.

Molecular Properties

Compound Name(1,2,2,3,3-pentadeuteriocyclopropyl)methanol
PubChem CID169436874
Molecular FormulaC4H8O
Molecular Weight77.14 g/mol
Exact Mass77.09
IUPAC Name(1,2,2,3,3-pentadeuteriocyclopropyl)methanol
SMILES[2H]C1([2H])C([2H])([2H])C1([2H])CO
InChIInChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2/i1D2,2D2,4D
InChIKeyGUDMZGLFZNLYEY-NTCSNYSNSA-N
XLogP0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.14
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,2,2,3,3-pentadeuteriocyclopropyl)methanol?
The IUPAC name of (1,2,2,3,3-pentadeuteriocyclopropyl)methanol (CID 169436874) is (1,2,2,3,3-pentadeuteriocyclopropyl)methanol.
What is the SMILES notation for (1,2,2,3,3-pentadeuteriocyclopropyl)methanol?
The canonical SMILES for (1,2,2,3,3-pentadeuteriocyclopropyl)methanol is [2H]C1([2H])C([2H])([2H])C1([2H])CO.
What is the InChIKey of (1,2,2,3,3-pentadeuteriocyclopropyl)methanol?
The InChIKey is GUDMZGLFZNLYEY-NTCSNYSNSA-N. The full InChI is InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2/i1D2,2D2,4D.
What are the key properties of (1,2,2,3,3-pentadeuteriocyclopropyl)methanol?
(1,2,2,3,3-pentadeuteriocyclopropyl)methanol has a molecular weight of 77.14 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,3,3-pentadeuteriocyclopropyl)methanol is sourced from PubChem (CID 169436874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).