[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate

C12H28O4SSi — CID 10063178

IUPAC[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate
SMILESCC[C@H](CO[Si](C)(C)C(C)(C)C)COS(C)(=O)=O
InChIInChI=1S/C12H28O4SSi/c1-8-11(9-15-17(5,13)14)10-16-18(6,7)12(2,3)4/h11H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyUKTVTDZGKSWKTA-NSHDSACASA-N
MW296.51 g/mol
LogP3.01
Rot. Bonds7

About [(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate

[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate (PubChem CID 10063178) has the molecular formula C12H28O4SSi and a molecular weight of 296.51 g/mol. Its IUPAC name is [(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate.

Molecular Properties

Compound Name[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate
PubChem CID10063178
Molecular FormulaC12H28O4SSi
Molecular Weight296.51 g/mol
Exact Mass296.15
IUPAC Name[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate
SMILESCC[C@H](CO[Si](C)(C)C(C)(C)C)COS(C)(=O)=O
InChIInChI=1S/C12H28O4SSi/c1-8-11(9-15-17(5,13)14)10-16-18(6,7)12(2,3)4/h11H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyUKTVTDZGKSWKTA-NSHDSACASA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.51
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate
CID 175551678
2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
CID 22995048
2-ethylpentyl methanesulfonate
CID 87281207
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-methylsulfonyloxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 174237468
[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-methylsulfonyloxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 73026809
[2-(fluoromethyl)-3-methylsulfonyloxypropyl] methanesulfonate
CID 135122818
[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate
CID 102424780
[(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-yl] methanesulfonate
CID 11175040
5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate
CID 57027171
[1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate
CID 151398547

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate?
The IUPAC name of [(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate (CID 10063178) is [(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate.
What is the SMILES notation for [(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate?
The canonical SMILES for [(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate is CC[C@H](CO[Si](C)(C)C(C)(C)C)COS(C)(=O)=O.
What is the InChIKey of [(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate?
The InChIKey is UKTVTDZGKSWKTA-NSHDSACASA-N. The full InChI is InChI=1S/C12H28O4SSi/c1-8-11(9-15-17(5,13)14)10-16-18(6,7)12(2,3)4/h11H,8-10H2,1-7H3/t11-/m0/s1.
What are the key properties of [(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate?
[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate has a molecular weight of 296.51 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate is sourced from PubChem (CID 10063178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).