(E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate

C10H23O4SSi- — CID 86747280

IUPAC(E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate
SMILESCC(C)(C)[Si](C)(C)/C=C/CO.CS(=O)(=O)[O-]
InChIInChI=1S/C9H20OSi.CH4O3S/c1-9(2,3)11(4,5)8-6-7-10;1-5(2,3)4/h6,8,10H,7H2,1-5H3;1H3,(H,2,3,4)/p-1/b8-6+;
InChIKeyVAUFNZONPSDMAX-WVLIHFOGSA-M
MW267.44 g/mol
LogP1.74
Rot. Bonds2

About (E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate

(E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate (PubChem CID 86747280) has the molecular formula C10H23O4SSi- and a molecular weight of 267.44 g/mol. Its IUPAC name is (E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate.

Molecular Properties

Compound Name(E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate
PubChem CID86747280
Molecular FormulaC10H23O4SSi-
Molecular Weight267.44 g/mol
Exact Mass267.11
IUPAC Name(E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate
SMILESCC(C)(C)[Si](C)(C)/C=C/CO.CS(=O)(=O)[O-]
InChIInChI=1S/C9H20OSi.CH4O3S/c1-9(2,3)11(4,5)8-6-7-10;1-5(2,3)4/h6,8,10H,7H2,1-5H3;1H3,(H,2,3,4)/p-1/b8-6+;
InChIKeyVAUFNZONPSDMAX-WVLIHFOGSA-M
XLogP1.74
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate?
The IUPAC name of (E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate (CID 86747280) is (E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate.
What is the SMILES notation for (E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate?
The canonical SMILES for (E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate is CC(C)(C)[Si](C)(C)/C=C/CO.CS(=O)(=O)[O-].
What is the InChIKey of (E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate?
The InChIKey is VAUFNZONPSDMAX-WVLIHFOGSA-M. The full InChI is InChI=1S/C9H20OSi.CH4O3S/c1-9(2,3)11(4,5)8-6-7-10;1-5(2,3)4/h6,8,10H,7H2,1-5H3;1H3,(H,2,3,4)/p-1/b8-6+;.
What are the key properties of (E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate?
(E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate has a molecular weight of 267.44 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol;methanesulfonate is sourced from PubChem (CID 86747280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).