1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol

C7H14O4 — CID 118056005

IUPAC1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol
SMILES[2H]C([2H])(O)CC1(CC([2H])([2H])O)OCCO1
InChIInChI=1S/C7H14O4/c8-3-1-7(2-4-9)10-5-6-11-7/h8-9H,1-6H2/i3D2,4D2
InChIKeyOQISMXPUYQRVLR-KHORGVISSA-N
MW166.21 g/mol
LogP-0.51
Rot. Bonds4

About 1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol

1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol (PubChem CID 118056005) has the molecular formula C7H14O4 and a molecular weight of 166.21 g/mol. Its IUPAC name is 1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol.

Molecular Properties

Compound Name1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol
PubChem CID118056005
Molecular FormulaC7H14O4
Molecular Weight166.21 g/mol
Exact Mass166.11
IUPAC Name1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol
SMILES[2H]C([2H])(O)CC1(CC([2H])([2H])O)OCCO1
InChIInChI=1S/C7H14O4/c8-3-1-7(2-4-9)10-5-6-11-7/h8-9H,1-6H2/i3D2,4D2
InChIKeyOQISMXPUYQRVLR-KHORGVISSA-N
XLogP-0.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol?
The IUPAC name of 1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol (CID 118056005) is 1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol.
What is the SMILES notation for 1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol?
The canonical SMILES for 1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol is [2H]C([2H])(O)CC1(CC([2H])([2H])O)OCCO1.
What is the InChIKey of 1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol?
The InChIKey is OQISMXPUYQRVLR-KHORGVISSA-N. The full InChI is InChI=1S/C7H14O4/c8-3-1-7(2-4-9)10-5-6-11-7/h8-9H,1-6H2/i3D2,4D2.
What are the key properties of 1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol?
1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol has a molecular weight of 166.21 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol is sourced from PubChem (CID 118056005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).