1,1,2,2-tetradeuterio-1-methoxypropane

C4H10O — CID 58675787

IUPAC1,1,2,2-tetradeuterio-1-methoxypropane
SMILES[2H]C([2H])(C)C([2H])([2H])OC
InChIInChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3/i3D2,4D2
InChIKeyVNKYTQGIUYNRMY-KHORGVISSA-N
MW78.15 g/mol
LogP1.04
Rot. Bonds2

About 1,1,2,2-tetradeuterio-1-methoxypropane

1,1,2,2-tetradeuterio-1-methoxypropane (PubChem CID 58675787) has the molecular formula C4H10O and a molecular weight of 78.15 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterio-1-methoxypropane.

Molecular Properties

Compound Name1,1,2,2-tetradeuterio-1-methoxypropane
PubChem CID58675787
Molecular FormulaC4H10O
Molecular Weight78.15 g/mol
Exact Mass78.10
IUPAC Name1,1,2,2-tetradeuterio-1-methoxypropane
SMILES[2H]C([2H])(C)C([2H])([2H])OC
InChIInChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3/i3D2,4D2
InChIKeyVNKYTQGIUYNRMY-KHORGVISSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.15
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetradeuterio-1-methoxypropane?
The IUPAC name of 1,1,2,2-tetradeuterio-1-methoxypropane (CID 58675787) is 1,1,2,2-tetradeuterio-1-methoxypropane.
What is the SMILES notation for 1,1,2,2-tetradeuterio-1-methoxypropane?
The canonical SMILES for 1,1,2,2-tetradeuterio-1-methoxypropane is [2H]C([2H])(C)C([2H])([2H])OC.
What is the InChIKey of 1,1,2,2-tetradeuterio-1-methoxypropane?
The InChIKey is VNKYTQGIUYNRMY-KHORGVISSA-N. The full InChI is InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3/i3D2,4D2.
What are the key properties of 1,1,2,2-tetradeuterio-1-methoxypropane?
1,1,2,2-tetradeuterio-1-methoxypropane has a molecular weight of 78.15 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetradeuterio-1-methoxypropane is sourced from PubChem (CID 58675787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).