4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol

C20H34O4SSi — CID 14140296

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol
SMILESCC(C)OC1=C(OC(C)C)C(O)(c2cccs2)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4SSi/c1-13(2)22-16-17(23-14(3)4)20(21,15-11-10-12-25-15)18(16)24-26(8,9)19(5,6)7/h10-14,18,21H,1-9H3
InChIKeyWAPFZKAQXIPCAO-UHFFFAOYSA-N
MW398.64 g/mol
LogP5.40
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol (PubChem CID 14140296) has the molecular formula C20H34O4SSi and a molecular weight of 398.64 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol
PubChem CID14140296
Molecular FormulaC20H34O4SSi
Molecular Weight398.64 g/mol
Exact Mass398.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol
SMILESCC(C)OC1=C(OC(C)C)C(O)(c2cccs2)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4SSi/c1-13(2)22-16-17(23-14(3)4)20(21,15-11-10-12-25-15)18(16)24-26(8,9)19(5,6)7/h10-14,18,21H,1-9H3
InChIKeyWAPFZKAQXIPCAO-UHFFFAOYSA-N
XLogP5.40
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 14140289
tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane
CID 59889233
tert-butyl-dimethyl-thiophen-2-yloxysilane
CID 11053031
3-methyl-1-thiophen-2-ylcyclopentan-1-ol
CID 64513369
tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane
CID 132570103
tert-butyl-dimethyl-[(1S)-1-thiophen-2-ylprop-2-enoxy]silane
CID 102114871
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048
2-(1-bicyclo[2.2.2]octanyl)thiophene
CID 140617889
2-(4-propan-2-yloxyphenyl)thiophene
CID 18387785
(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol
CID 170702889
N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide
CID 23567059
4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol
CID 138514846

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol (CID 14140296) is 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol is CC(C)OC1=C(OC(C)C)C(O)(c2cccs2)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol?
The InChIKey is WAPFZKAQXIPCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4SSi/c1-13(2)22-16-17(23-14(3)4)20(21,15-11-10-12-25-15)18(16)24-26(8,9)19(5,6)7/h10-14,18,21H,1-9H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol has a molecular weight of 398.64 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol is sourced from PubChem (CID 14140296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).