[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol

C12H24O2S2Si — CID 23367133

IUPAC[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1(CO)CC=CSS1
InChIInChI=1S/C12H24O2S2Si/c1-11(2,3)17(4,5)14-10-12(9-13)7-6-8-15-16-12/h6,8,13H,7,9-10H2,1-5H3
InChIKeyGUNRNGKOTHVPQQ-UHFFFAOYSA-N
MW292.54 g/mol
LogP4.04
Rot. Bonds4

About [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol

[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol (PubChem CID 23367133) has the molecular formula C12H24O2S2Si and a molecular weight of 292.54 g/mol. Its IUPAC name is [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol.

Molecular Properties

Compound Name[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol
PubChem CID23367133
Molecular FormulaC12H24O2S2Si
Molecular Weight292.54 g/mol
Exact Mass292.10
IUPAC Name[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1(CO)CC=CSS1
InChIInChI=1S/C12H24O2S2Si/c1-11(2,3)17(4,5)14-10-12(9-13)7-6-8-15-16-12/h6,8,13H,7,9-10H2,1-5H3
InChIKeyGUNRNGKOTHVPQQ-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 59000904
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-ol
CID 70362766
tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol
CID 158962820
[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluoro-2-methylcyclopropyl]methanol
CID 16655222
tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]methoxy]-dimethylsilane
CID 11710579
[(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol
CID 162101194
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl] formate
CID 88528246
3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-amine
CID 171692296
methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate
CID 174067211
tert-butyl-[(2-ethyl-3,4-dihydropyran-2-yl)methoxy]-dimethylsilane
CID 58063687
3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol
CID 71777166
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolan-2-ol
CID 102285704

Frequently Asked Questions

What is the IUPAC name of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol?
The IUPAC name of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol (CID 23367133) is [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol.
What is the SMILES notation for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol?
The canonical SMILES for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol is CC(C)(C)[Si](C)(C)OCC1(CO)CC=CSS1.
What is the InChIKey of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol?
The InChIKey is GUNRNGKOTHVPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S2Si/c1-11(2,3)17(4,5)14-10-12(9-13)7-6-8-15-16-12/h6,8,13H,7,9-10H2,1-5H3.
What are the key properties of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol?
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol has a molecular weight of 292.54 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4H-dithiin-3-yl]methanol is sourced from PubChem (CID 23367133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).