dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol

C7H12O2 — CID 178020490

IUPACdideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol
SMILES[2H]C([2H])(O)C12CC(C([2H])([2H])O)(C1)C2
InChIInChI=1S/C7H12O2/c8-4-6-1-7(2-6,3-6)5-9/h8-9H,1-5H2/i4D2,5D2
InChIKeyJYAXTAAJBSRXMB-CQOLUAMGSA-N
MW132.20 g/mol
LogP0.14
Rot. Bonds2

About dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol

dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol (PubChem CID 178020490) has the molecular formula C7H12O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol.

Molecular Properties

Compound Namedideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol
PubChem CID178020490
Molecular FormulaC7H12O2
Molecular Weight132.20 g/mol
Exact Mass132.11
IUPAC Namedideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol
SMILES[2H]C([2H])(O)C12CC(C([2H])([2H])O)(C1)C2
InChIInChI=1S/C7H12O2/c8-4-6-1-7(2-6,3-6)5-9/h8-9H,1-5H2/i4D2,5D2
InChIKeyJYAXTAAJBSRXMB-CQOLUAMGSA-N
XLogP0.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol
CID 24784662
[3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol
CID 122664511
(3,5,7-trifluoro-1-adamantyl)methanol
CID 57406555
2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol
CID 853564
1-(3-acetyl-1-bicyclo[1.1.1]pentanyl)ethanone
CID 11159413
2-tricyclo[1.1.1.01,3]pentanylmethanol
CID 10975409
cyclopropyl(dideuterio)methanol
CID 71308818
1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol
CID 118056005
1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol
CID 171473077
ethane-1,2-diol;silane
CID 159802659
1-[3-(3,3-dimethyl-2-oxobutyl)-1-bicyclo[1.1.1]pentanyl]-3,3-dimethylbutan-2-one
CID 129041072
dideuterio-[(2R,3S)-2,3-dideuteriocyclopropyl]methanol
CID 10261043

Frequently Asked Questions

What is the IUPAC name of dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol?
The IUPAC name of dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol (CID 178020490) is dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol.
What is the SMILES notation for dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol?
The canonical SMILES for dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol is [2H]C([2H])(O)C12CC(C([2H])([2H])O)(C1)C2.
What is the InChIKey of dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol?
The InChIKey is JYAXTAAJBSRXMB-CQOLUAMGSA-N. The full InChI is InChI=1S/C7H12O2/c8-4-6-1-7(2-6,3-6)5-9/h8-9H,1-5H2/i4D2,5D2.
What are the key properties of dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol?
dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol has a molecular weight of 132.20 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol is sourced from PubChem (CID 178020490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).