tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane

C20H41ClO2Si2 — CID 10993157

IUPACtert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCCl)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H41ClO2Si2/c1-19(2,3)24(7,8)22-17-13-16(11-12-21)14-18(15-17)23-25(9,10)20(4,5)6/h11,17-18H,12-15H2,1-10H3/t17-,18-/m1/s1
InChIKeyWYDXSPKPVNSYKS-QZTJIDSGSA-N
MW405.17 g/mol
LogP7.12
Rot. Bonds5

About tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane (PubChem CID 10993157) has the molecular formula C20H41ClO2Si2 and a molecular weight of 405.17 g/mol. Its IUPAC name is tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane
PubChem CID10993157
Molecular FormulaC20H41ClO2Si2
Molecular Weight405.17 g/mol
Exact Mass404.23
IUPAC Nametert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCCl)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H41ClO2Si2/c1-19(2,3)24(7,8)22-17-13-16(11-12-21)14-18(15-17)23-25(9,10)20(4,5)6/h11,17-18H,12-15H2,1-10H3/t17-,18-/m1/s1
InChIKeyWYDXSPKPVNSYKS-QZTJIDSGSA-N
XLogP7.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.17
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane (CID 10993157) is tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCCl)C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane?
The InChIKey is WYDXSPKPVNSYKS-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H41ClO2Si2/c1-19(2,3)24(7,8)22-17-13-16(11-12-21)14-18(15-17)23-25(9,10)20(4,5)6/h11,17-18H,12-15H2,1-10H3/t17-,18-/m1/s1.
What are the key properties of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane has a molecular weight of 405.17 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 10993157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).