actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol

C10H20Ac2O4 — CID 20705986

IUPACactinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol
SMILESCC1(C)C(O)OC(CO)C(C)(C)C1O.[Ac].[Ac]
InChIInChI=1S/C10H20O4.2Ac/c1-9(2)6(5-11)14-8(13)10(3,4)7(9)12;;/h6-8,11-13H,5H2,1-4H3;;
InChIKeyFRUWJXCIUFZIFO-UHFFFAOYSA-N
MW658.27 g/mol
LogP0.11
Rot. Bonds1

About actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol

actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol (PubChem CID 20705986) has the molecular formula C10H20Ac2O4 and a molecular weight of 658.27 g/mol. Its IUPAC name is actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol.

Molecular Properties

Compound Nameactinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol
PubChem CID20705986
Molecular FormulaC10H20Ac2O4
Molecular Weight658.27 g/mol
Exact Mass658.19
IUPAC Nameactinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol
SMILESCC1(C)C(O)OC(CO)C(C)(C)C1O.[Ac].[Ac]
InChIInChI=1S/C10H20O4.2Ac/c1-9(2)6(5-11)14-8(13)10(3,4)7(9)12;;/h6-8,11-13H,5H2,1-4H3;;
InChIKeyFRUWJXCIUFZIFO-UHFFFAOYSA-N
XLogP0.11
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500658.27
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate
CID 20706015
[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol
CID 15496898
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 20758643
CID 88954271
CID 88954271
(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol
CID 59065136
3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol
CID 142172439
[(2R)-3,3-difluoro-5-methyloxolan-2-yl]methanol
CID 88976409
3-tert-butyl-2,2,4,4-tetramethylcyclobutan-1-ol
CID 175708400
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848
(2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol
CID 54763879

Frequently Asked Questions

What is the IUPAC name of actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol?
The IUPAC name of actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol (CID 20705986) is actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol.
What is the SMILES notation for actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol?
The canonical SMILES for actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol is CC1(C)C(O)OC(CO)C(C)(C)C1O.[Ac].[Ac].
What is the InChIKey of actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol?
The InChIKey is FRUWJXCIUFZIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4.2Ac/c1-9(2)6(5-11)14-8(13)10(3,4)7(9)12;;/h6-8,11-13H,5H2,1-4H3;;.
What are the key properties of actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol?
actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol has a molecular weight of 658.27 g/mol, XLogP of 0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;6-(hydroxymethyl)-3,3,5,5-tetramethyloxane-2,4-diol is sourced from PubChem (CID 20705986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).