4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate

C12H28O4SSi — CID 91548982

IUPAC4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate
SMILESCC(CCCOS(C)(=O)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O4SSi/c1-11(9-8-10-15-17(5,13)14)16-18(6,7)12(2,3)4/h11H,8-10H2,1-7H3
InChIKeyCEBQGVMDCBHYRD-UHFFFAOYSA-N
MW296.51 g/mol
LogP3.15
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate

4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate (PubChem CID 91548982) has the molecular formula C12H28O4SSi and a molecular weight of 296.51 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate
PubChem CID91548982
Molecular FormulaC12H28O4SSi
Molecular Weight296.51 g/mol
Exact Mass296.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate
SMILESCC(CCCOS(C)(=O)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O4SSi/c1-11(9-8-10-15-17(5,13)14)16-18(6,7)12(2,3)4/h11H,8-10H2,1-7H3
InChIKeyCEBQGVMDCBHYRD-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 ≤ 500296.51
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

3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate
CID 54173947
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
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl] methanesulfonate
CID 59026654
5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol;5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
CID 87794972
2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
CID 22995048
[(2R)-7-bromoheptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11023281
tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane
CID 25098862
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate (CID 91548982) is 4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate is CC(CCCOS(C)(=O)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate?
The InChIKey is CEBQGVMDCBHYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O4SSi/c1-11(9-8-10-15-17(5,13)14)16-18(6,7)12(2,3)4/h11H,8-10H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate?
4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate has a molecular weight of 296.51 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 4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate is sourced from PubChem (CID 91548982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).