3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate

C11H26O4SSi — CID 54173947

IUPAC3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate
SMILESCC(CCOS(C)(=O)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O4SSi/c1-10(8-9-14-16(5,12)13)15-17(6,7)11(2,3)4/h10H,8-9H2,1-7H3
InChIKeyOWYKAVRTZIYKBR-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.76
Rot. Bonds6

About 3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate

3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate (PubChem CID 54173947) has the molecular formula C11H26O4SSi and a molecular weight of 282.48 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate
PubChem CID54173947
Molecular FormulaC11H26O4SSi
Molecular Weight282.48 g/mol
Exact Mass282.13
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate
SMILESCC(CCOS(C)(=O)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O4SSi/c1-10(8-9-14-16(5,12)13)15-17(6,7)11(2,3)4/h10H,8-9H2,1-7H3
InChIKeyOWYKAVRTZIYKBR-UHFFFAOYSA-N
XLogP2.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.76
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

4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate
CID 91548982
2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
CID 22995048
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
(3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-amine
CID 88577810
tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
CID 11130810
5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
CID 87745288
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undecan-6-one
CID 10598768
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate
CID 175551678
5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol;5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
CID 87794972
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate (CID 54173947) is 3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate is CC(CCOS(C)(=O)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate?
The InChIKey is OWYKAVRTZIYKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O4SSi/c1-10(8-9-14-16(5,12)13)15-17(6,7)11(2,3)4/h10H,8-9H2,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate?
3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate has a molecular weight of 282.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate is sourced from PubChem (CID 54173947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).