5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate

C12H28O4SSi — CID 87745288

IUPAC5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
SMILESCC(CCCO[Si](C)(C)C(C)(C)C)OS(C)(=O)=O
InChIInChI=1S/C12H28O4SSi/c1-11(16-17(5,13)14)9-8-10-15-18(6,7)12(2,3)4/h11H,8-10H2,1-7H3
InChIKeyKXYOXCKCGCNDGT-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.15
Rot. Bonds7

About 5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate

5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate (PubChem CID 87745288) has the molecular formula C12H28O4SSi and a molecular weight of 296.50 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
PubChem CID87745288
Molecular FormulaC12H28O4SSi
Molecular Weight296.50 g/mol
Exact Mass296.15
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
SMILESCC(CCCO[Si](C)(C)C(C)(C)C)OS(C)(=O)=O
InChIInChI=1S/C12H28O4SSi/c1-11(16-17(5,13)14)9-8-10-15-18(6,7)12(2,3)4/h11H,8-10H2,1-7H3
InChIKeyKXYOXCKCGCNDGT-UHFFFAOYSA-N
XLogP3.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol;5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
CID 87794972
[(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate
CID 145359169
4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate
CID 91548982
2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
CID 22995048
3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide
CID 153437849
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate
CID 54173947
2-amino-5-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 175131179
1-amino-5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 101445135

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate (CID 87745288) is 5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate is CC(CCCO[Si](C)(C)C(C)(C)C)OS(C)(=O)=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate?
The InChIKey is KXYOXCKCGCNDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O4SSi/c1-11(16-17(5,13)14)9-8-10-15-18(6,7)12(2,3)4/h11H,8-10H2,1-7H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate?
5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate has a molecular weight of 296.50 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate is sourced from PubChem (CID 87745288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).