1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol

C7H14O3 — CID 46782226

IUPAC1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol
SMILES[2H]C([2H])(O)C([2H])([2H])CC1(C)OCCO1
InChIInChI=1S/C7H14O3/c1-7(3-2-4-8)9-5-6-10-7/h8H,2-6H2,1H3/i2D2,4D2
InChIKeyNEPTYGVWDNDVBS-BYUTVXSXSA-N
MW150.21 g/mol
LogP0.52
Rot. Bonds3

About 1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol

1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol (PubChem CID 46782226) has the molecular formula C7H14O3 and a molecular weight of 150.21 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol
PubChem CID46782226
Molecular FormulaC7H14O3
Molecular Weight150.21 g/mol
Exact Mass150.12
IUPAC Name1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol
SMILES[2H]C([2H])(O)C([2H])([2H])CC1(C)OCCO1
InChIInChI=1S/C7H14O3/c1-7(3-2-4-8)9-5-6-10-7/h8H,2-6H2,1H3/i2D2,4D2
InChIKeyNEPTYGVWDNDVBS-BYUTVXSXSA-N
XLogP0.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol?
The IUPAC name of 1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol (CID 46782226) is 1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol?
The canonical SMILES for 1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol is [2H]C([2H])(O)C([2H])([2H])CC1(C)OCCO1.
What is the InChIKey of 1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol?
The InChIKey is NEPTYGVWDNDVBS-BYUTVXSXSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(3-2-4-8)9-5-6-10-7/h8H,2-6H2,1H3/i2D2,4D2.
What are the key properties of 1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol?
1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol has a molecular weight of 150.21 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol is sourced from PubChem (CID 46782226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).