[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate

C13H28O7S2Si — CID 102424780

IUPAC[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](OS(C)(=O)=O)C1(OS(C)(=O)=O)CC1
InChIInChI=1S/C13H28O7S2Si/c1-12(2,3)23(6,7)18-10-11(19-21(4,14)15)13(8-9-13)20-22(5,16)17/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKeyPOBPQRWUUWMGGU-LLVKDONJSA-N
MW388.58 g/mol
LogP1.86
Rot. Bonds8

About [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate

[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate (PubChem CID 102424780) has the molecular formula C13H28O7S2Si and a molecular weight of 388.58 g/mol. Its IUPAC name is [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate.

Molecular Properties

Compound Name[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate
PubChem CID102424780
Molecular FormulaC13H28O7S2Si
Molecular Weight388.58 g/mol
Exact Mass388.10
IUPAC Name[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](OS(C)(=O)=O)C1(OS(C)(=O)=O)CC1
InChIInChI=1S/C13H28O7S2Si/c1-12(2,3)23(6,7)18-10-11(19-21(4,14)15)13(8-9-13)20-22(5,16)17/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKeyPOBPQRWUUWMGGU-LLVKDONJSA-N
XLogP1.86
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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]oxy-2-methylpropyl] methanesulfonate
CID 175551678
2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
CID 22995048
[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate
CID 10063178
[(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-yl] methanesulfonate
CID 11175040
5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
CID 87745288
[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-methylsulfonyloxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 174237468
[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-methylsulfonyloxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 73026809
1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid
CID 123927759
[(2S,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-1,1,1-trichlorobutan-2-yl] methanesulfonate
CID 138969959
5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol;5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
CID 87794972
[5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-yl] methanesulfonate
CID 11187078
[1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate
CID 151398547

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate?
The IUPAC name of [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate (CID 102424780) is [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate.
What is the SMILES notation for [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate?
The canonical SMILES for [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate is CC(C)(C)[Si](C)(C)OC[C@@H](OS(C)(=O)=O)C1(OS(C)(=O)=O)CC1.
What is the InChIKey of [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate?
The InChIKey is POBPQRWUUWMGGU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H28O7S2Si/c1-12(2,3)23(6,7)18-10-11(19-21(4,14)15)13(8-9-13)20-22(5,16)17/h11H,8-10H2,1-7H3/t11-/m1/s1.
What are the key properties of [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate?
[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate has a molecular weight of 388.58 g/mol, XLogP of 1.86, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate is sourced from PubChem (CID 102424780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).