[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol

C14H30O4SSi — CID 156678586

IUPAC[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol
SMILESCC(C)(CS(=O)(=O)C1(CO)CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4SSi/c1-12(2,3)20(6,7)18-13(4,5)11-19(16,17)14(10-15)8-9-14/h15H,8-11H2,1-7H3
InChIKeyAKBCKXBSXCYLKC-UHFFFAOYSA-N
MW322.54 g/mol
LogP2.73
Rot. Bonds6

About [1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol

[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol (PubChem CID 156678586) has the molecular formula C14H30O4SSi and a molecular weight of 322.54 g/mol. Its IUPAC name is [1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol
PubChem CID156678586
Molecular FormulaC14H30O4SSi
Molecular Weight322.54 g/mol
Exact Mass322.16
IUPAC Name[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol
SMILESCC(C)(CS(=O)(=O)C1(CO)CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4SSi/c1-12(2,3)20(6,7)18-13(4,5)11-19(16,17)14(10-15)8-9-14/h15H,8-11H2,1-7H3
InChIKeyAKBCKXBSXCYLKC-UHFFFAOYSA-N
XLogP2.73
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol?
The IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol (CID 156678586) is [1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol.
What is the SMILES notation for [1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol?
The canonical SMILES for [1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol is CC(C)(CS(=O)(=O)C1(CO)CC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol?
The InChIKey is AKBCKXBSXCYLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4SSi/c1-12(2,3)20(6,7)18-13(4,5)11-19(16,17)14(10-15)8-9-14/h15H,8-11H2,1-7H3.
What are the key properties of [1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol?
[1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol has a molecular weight of 322.54 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]sulfonylcyclopropyl]methanol is sourced from PubChem (CID 156678586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).