tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane

C21H41ClO2Si2 — CID 11037139

IUPACtert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane
SMILESC=C1/C(=C\CCl)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H41ClO2Si2/c1-16-17(12-13-22)14-18(23-25(8,9)20(2,3)4)15-19(16)24-26(10,11)21(5,6)7/h12,18-19H,1,13-15H2,2-11H3/b17-12-/t18-,19-/m0/s1
InChIKeyLMDOYFASUNIFPL-OVVXSAMCSA-N
MW417.18 g/mol
LogP7.28
Rot. Bonds5

About tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane

tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane (PubChem CID 11037139) has the molecular formula C21H41ClO2Si2 and a molecular weight of 417.18 g/mol. Its IUPAC name is tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane
PubChem CID11037139
Molecular FormulaC21H41ClO2Si2
Molecular Weight417.18 g/mol
Exact Mass416.23
IUPAC Nametert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane
SMILESC=C1/C(=C\CCl)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H41ClO2Si2/c1-16-17(12-13-22)14-18(23-25(8,9)20(2,3)4)15-19(16)24-26(10,11)21(5,6)7/h12,18-19H,1,13-15H2,2-11H3/b17-12-/t18-,19-/m0/s1
InChIKeyLMDOYFASUNIFPL-OVVXSAMCSA-N
XLogP7.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.18
LogP ≤ 57.28
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane (CID 11037139) is tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane is C=C1/C(=C\CCl)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane?
The InChIKey is LMDOYFASUNIFPL-OVVXSAMCSA-N. The full InChI is InChI=1S/C21H41ClO2Si2/c1-16-17(12-13-22)14-18(23-25(8,9)20(2,3)4)15-19(16)24-26(10,11)21(5,6)7/h12,18-19H,1,13-15H2,2-11H3/b17-12-/t18-,19-/m0/s1.
What are the key properties of tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane has a molecular weight of 417.18 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 11037139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).