cyclopropyl(dideuterio)methanol

C4H8O — CID 71308818

IUPACcyclopropyl(dideuterio)methanol
SMILES[2H]C([2H])(O)C1CC1
InChIInChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2/i3D2
InChIKeyGUDMZGLFZNLYEY-SMZGMGDZSA-N
MW74.12 g/mol
LogP0.39
Rot. Bonds1

About cyclopropyl(dideuterio)methanol

cyclopropyl(dideuterio)methanol (PubChem CID 71308818) has the molecular formula C4H8O and a molecular weight of 74.12 g/mol. Its IUPAC name is cyclopropyl(dideuterio)methanol.

Molecular Properties

Compound Namecyclopropyl(dideuterio)methanol
PubChem CID71308818
Molecular FormulaC4H8O
Molecular Weight74.12 g/mol
Exact Mass74.07
IUPAC Namecyclopropyl(dideuterio)methanol
SMILES[2H]C([2H])(O)C1CC1
InChIInChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2/i3D2
InChIKeyGUDMZGLFZNLYEY-SMZGMGDZSA-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 ≤ 50074.12
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(dideuterio)methanol?
The IUPAC name of cyclopropyl(dideuterio)methanol (CID 71308818) is cyclopropyl(dideuterio)methanol.
What is the SMILES notation for cyclopropyl(dideuterio)methanol?
The canonical SMILES for cyclopropyl(dideuterio)methanol is [2H]C([2H])(O)C1CC1.
What is the InChIKey of cyclopropyl(dideuterio)methanol?
The InChIKey is GUDMZGLFZNLYEY-SMZGMGDZSA-N. The full InChI is InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2/i3D2.
What are the key properties of cyclopropyl(dideuterio)methanol?
cyclopropyl(dideuterio)methanol has a molecular weight of 74.12 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 cyclopropyl(dideuterio)methanol is sourced from PubChem (CID 71308818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).