[(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride

C16H31ClO3SSi — CID 134882547

IUPAC[(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride
SMILESCC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C16H31ClO3SSi/c1-14(2,3)22(6,7)20-13-10-12-8-9-16(13,15(12,4)5)11-21(17,18)19/h12-13H,8-11H2,1-7H3/t12-,13+,16-/m1/s1
InChIKeyJRCUUZKPNBARBI-DVOMOZLQSA-N
MW367.03 g/mol
LogP4.77
Rot. Bonds4

About [(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride

[(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride (PubChem CID 134882547) has the molecular formula C16H31ClO3SSi and a molecular weight of 367.03 g/mol. Its IUPAC name is [(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride
PubChem CID134882547
Molecular FormulaC16H31ClO3SSi
Molecular Weight367.03 g/mol
Exact Mass366.15
IUPAC Name[(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride
SMILESCC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C16H31ClO3SSi/c1-14(2,3)22(6,7)20-13-10-12-8-9-16(13,15(12,4)5)11-21(17,18)19/h12-13H,8-11H2,1-7H3/t12-,13+,16-/m1/s1
InChIKeyJRCUUZKPNBARBI-DVOMOZLQSA-N
XLogP4.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.03
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride?
The IUPAC name of [(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride (CID 134882547) is [(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride.
What is the SMILES notation for [(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride?
The canonical SMILES for [(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride is CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of [(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride?
The InChIKey is JRCUUZKPNBARBI-DVOMOZLQSA-N. The full InChI is InChI=1S/C16H31ClO3SSi/c1-14(2,3)22(6,7)20-13-10-12-8-9-16(13,15(12,4)5)11-21(17,18)19/h12-13H,8-11H2,1-7H3/t12-,13+,16-/m1/s1.
What are the key properties of [(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride?
[(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride has a molecular weight of 367.03 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride is sourced from PubChem (CID 134882547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).