3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate

C10H22O3SSi — CID 54159951

IUPAC3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate
SMILESCC(C)(C)[Si](C)(C)C=CCOS(C)(=O)=O
InChIInChI=1S/C10H22O3SSi/c1-10(2,3)15(5,6)9-7-8-13-14(4,11)12/h7,9H,8H2,1-6H3
InChIKeyONRYTUNGHUUTQN-UHFFFAOYSA-N
MW250.44 g/mol
LogP2.57
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate

3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate (PubChem CID 54159951) has the molecular formula C10H22O3SSi and a molecular weight of 250.44 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate
PubChem CID54159951
Molecular FormulaC10H22O3SSi
Molecular Weight250.44 g/mol
Exact Mass250.11
IUPAC Name3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate
SMILESCC(C)(C)[Si](C)(C)C=CCOS(C)(=O)=O
InChIInChI=1S/C10H22O3SSi/c1-10(2,3)15(5,6)9-7-8-13-14(4,11)12/h7,9H,8H2,1-6H3
InChIKeyONRYTUNGHUUTQN-UHFFFAOYSA-N
XLogP2.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate (CID 54159951) is 3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate is CC(C)(C)[Si](C)(C)C=CCOS(C)(=O)=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate?
The InChIKey is ONRYTUNGHUUTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3SSi/c1-10(2,3)15(5,6)9-7-8-13-14(4,11)12/h7,9H,8H2,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate?
3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate has a molecular weight of 250.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]prop-2-enyl methanesulfonate is sourced from PubChem (CID 54159951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).