tert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane

C19H40O5SSi — CID 10669202

IUPACtert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane
SMILESCOCCOCO[C@@H]1C[C@@H](COCSC)[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H40O5SSi/c1-19(2,3)26(6,7)24-13-17-11-18(23-14-21-9-8-20-4)10-16(17)12-22-15-25-5/h16-18H,8-15H2,1-7H3/t16-,17+,18+/m0/s1
InChIKeyDORGAPHAXSCTAO-RCCFBDPRSA-N
MW408.68 g/mol
LogP4.38
Rot. Bonds13

About tert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane

tert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane (PubChem CID 10669202) has the molecular formula C19H40O5SSi and a molecular weight of 408.68 g/mol. Its IUPAC name is tert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane
PubChem CID10669202
Molecular FormulaC19H40O5SSi
Molecular Weight408.68 g/mol
Exact Mass408.24
IUPAC Nametert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane
SMILESCOCCOCO[C@@H]1C[C@@H](COCSC)[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H40O5SSi/c1-19(2,3)26(6,7)24-13-17-11-18(23-14-21-9-8-20-4)10-16(17)12-22-15-25-5/h16-18H,8-15H2,1-7H3/t16-,17+,18+/m0/s1
InChIKeyDORGAPHAXSCTAO-RCCFBDPRSA-N
XLogP4.38
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.68
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-dimethylsilane
CID 91694118
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CID 69296261
1-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)propan-2-one
CID 11066269
tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane
CID 166448933
cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
CID 140907186
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane
CID 11436362
tert-butyl-[2-[(2R,3R,6S)-3-(2-methoxyethoxymethoxy)-6-prop-2-enyloxan-2-yl]ethoxy]-dimethylsilane
CID 46894694
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-amine
CID 19794261
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
tert-butyl-(cyclohexyloxymethoxy)-dimethylsilane
CID 139783422
tert-butyl-(2-methoxyethoxymethyl)-dimethylsilane
CID 57156818
N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3-(2-methoxyethoxy)propyl]pentane-1,5-diamine
CID 158707795

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane (CID 10669202) is tert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane is COCCOCO[C@@H]1C[C@@H](COCSC)[C@@H](CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane?
The InChIKey is DORGAPHAXSCTAO-RCCFBDPRSA-N. The full InChI is InChI=1S/C19H40O5SSi/c1-19(2,3)26(6,7)24-13-17-11-18(23-14-21-9-8-20-4)10-16(17)12-22-15-25-5/h16-18H,8-15H2,1-7H3/t16-,17+,18+/m0/s1.
What are the key properties of tert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane?
tert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane has a molecular weight of 408.68 g/mol, XLogP of 4.38, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2R,4R)-4-(2-methoxyethoxymethoxy)-2-(methylsulfanylmethoxymethyl)cyclopentyl]methoxy]-dimethylsilane is sourced from PubChem (CID 10669202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).