4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate

C11H24O4SSi — CID 54179203

IUPAC4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OCC=CCOS(C)(=O)=O
InChIInChI=1S/C11H24O4SSi/c1-11(2,3)17(5,6)15-10-8-7-9-14-16(4,12)13/h7-8H,9-10H2,1-6H3
InChIKeyPAPKRZTXQWXSSN-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.54
Rot. Bonds6

About 4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate

4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate (PubChem CID 54179203) has the molecular formula C11H24O4SSi and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate
PubChem CID54179203
Molecular FormulaC11H24O4SSi
Molecular Weight280.46 g/mol
Exact Mass280.12
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OCC=CCOS(C)(=O)=O
InChIInChI=1S/C11H24O4SSi/c1-11(2,3)17(5,6)15-10-8-7-9-14-16(4,12)13/h7-8H,9-10H2,1-6H3
InChIKeyPAPKRZTXQWXSSN-UHFFFAOYSA-N
XLogP2.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate (CID 54179203) is 4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate is CC(C)(C)[Si](C)(C)OCC=CCOS(C)(=O)=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate?
The InChIKey is PAPKRZTXQWXSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4SSi/c1-11(2,3)17(5,6)15-10-8-7-9-14-16(4,12)13/h7-8H,9-10H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate?
4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl methanesulfonate has a molecular weight of 280.46 g/mol, XLogP of 2.54, 6 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]oxybut-2-enyl methanesulfonate is sourced from PubChem (CID 54179203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).