1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol

C4H10O3 — CID 71309368

IUPAC1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol
SMILES[2H]C([2H])(O)C([2H])([2H])OC([2H])([2H])C([2H])([2H])O
InChIInChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2/i1D2,2D2,3D2,4D2
InChIKeyMTHSVFCYNBDYFN-SVYQBANQSA-N
MW114.17 g/mol
LogP-1.01
Rot. Bonds4

About 1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol

1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol (PubChem CID 71309368) has the molecular formula C4H10O3 and a molecular weight of 114.17 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol
PubChem CID71309368
Molecular FormulaC4H10O3
Molecular Weight114.17 g/mol
Exact Mass114.11
IUPAC Name1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol
SMILES[2H]C([2H])(O)C([2H])([2H])OC([2H])([2H])C([2H])([2H])O
InChIInChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2/i1D2,2D2,3D2,4D2
InChIKeyMTHSVFCYNBDYFN-SVYQBANQSA-N
XLogP-1.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Diethylene Glycol Monomethyl Ether
CID 8134
Diethylene Glycol
CID 8117
2-Methoxyethanol
CID 8019
2-Butoxyethanol
CID 8133
Diethylene Glycol Monoethyl Ether
CID 8146
Triethylene Glycol
CID 8172
Glycol monoethyl ether
CID 8076
Triethylene glycol monomethyl ether
CID 8178
Tetraethylene Glycol
CID 8200
Glycol monopropyl ether
CID 17756
Hexaethylene Glycol
CID 17472
Diethylene glycol monopropyl ether
CID 81313

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol?
The IUPAC name of 1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol (CID 71309368) is 1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol.
What is the SMILES notation for 1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol?
The canonical SMILES for 1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol is [2H]C([2H])(O)C([2H])([2H])OC([2H])([2H])C([2H])([2H])O.
What is the InChIKey of 1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol?
The InChIKey is MTHSVFCYNBDYFN-SVYQBANQSA-N. The full InChI is InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2/i1D2,2D2,3D2,4D2.
What are the key properties of 1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol?
1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol has a molecular weight of 114.17 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol is sourced from PubChem (CID 71309368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).