[1-(trideuteriomethoxymethyl)cyclopropyl]methanol

C6H12O2 — CID 171784533

IUPAC[1-(trideuteriomethoxymethyl)cyclopropyl]methanol
SMILES[2H]C([2H])([2H])OCC1(CO)CC1
InChIInChI=1S/C6H12O2/c1-8-5-6(4-7)2-3-6/h7H,2-5H2,1H3/i1D3
InChIKeyWGLFLXUUQCEVBP-FIBGUPNXSA-N
MW119.18 g/mol
LogP0.41
Rot. Bonds4

About [1-(trideuteriomethoxymethyl)cyclopropyl]methanol

[1-(trideuteriomethoxymethyl)cyclopropyl]methanol (PubChem CID 171784533) has the molecular formula C6H12O2 and a molecular weight of 119.18 g/mol. Its IUPAC name is [1-(trideuteriomethoxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(trideuteriomethoxymethyl)cyclopropyl]methanol
PubChem CID171784533
Molecular FormulaC6H12O2
Molecular Weight119.18 g/mol
Exact Mass119.10
IUPAC Name[1-(trideuteriomethoxymethyl)cyclopropyl]methanol
SMILES[2H]C([2H])([2H])OCC1(CO)CC1
InChIInChI=1S/C6H12O2/c1-8-5-6(4-7)2-3-6/h7H,2-5H2,1H3/i1D3
InChIKeyWGLFLXUUQCEVBP-FIBGUPNXSA-N
XLogP0.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(trideuteriomethoxymethyl)cyclopropyl]methanol?
The IUPAC name of [1-(trideuteriomethoxymethyl)cyclopropyl]methanol (CID 171784533) is [1-(trideuteriomethoxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(trideuteriomethoxymethyl)cyclopropyl]methanol?
The canonical SMILES for [1-(trideuteriomethoxymethyl)cyclopropyl]methanol is [2H]C([2H])([2H])OCC1(CO)CC1.
What is the InChIKey of [1-(trideuteriomethoxymethyl)cyclopropyl]methanol?
The InChIKey is WGLFLXUUQCEVBP-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H12O2/c1-8-5-6(4-7)2-3-6/h7H,2-5H2,1H3/i1D3.
What are the key properties of [1-(trideuteriomethoxymethyl)cyclopropyl]methanol?
[1-(trideuteriomethoxymethyl)cyclopropyl]methanol has a molecular weight of 119.18 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trideuteriomethoxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 171784533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).