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

C15H27ClOSi — CID 101065781

IUPACtert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane
SMILESC=C1C[C@@H](O[Si](C)(C)C(C)(C)C)CC/C1=C/CCl
InChIInChI=1S/C15H27ClOSi/c1-12-11-14(8-7-13(12)9-10-16)17-18(5,6)15(2,3)4/h9,14H,1,7-8,10-11H2,2-6H3/b13-9-/t14-/m0/s1
InChIKeyPXDMZYQAEDTHFZ-XXYUJHKVSA-N
MW286.92 g/mol
LogP5.28
Rot. Bonds3

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

tert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane (PubChem CID 101065781) has the molecular formula C15H27ClOSi and a molecular weight of 286.92 g/mol. Its IUPAC name is tert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane
PubChem CID101065781
Molecular FormulaC15H27ClOSi
Molecular Weight286.92 g/mol
Exact Mass286.15
IUPAC Nametert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane
SMILESC=C1C[C@@H](O[Si](C)(C)C(C)(C)C)CC/C1=C/CCl
InChIInChI=1S/C15H27ClOSi/c1-12-11-14(8-7-13(12)9-10-16)17-18(5,6)15(2,3)4/h9,14H,1,7-8,10-11H2,2-6H3/b13-9-/t14-/m0/s1
InChIKeyPXDMZYQAEDTHFZ-XXYUJHKVSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.92
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane (CID 101065781) is tert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane is C=C1C[C@@H](O[Si](C)(C)C(C)(C)C)CC/C1=C/CCl.
What is the InChIKey of tert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane?
The InChIKey is PXDMZYQAEDTHFZ-XXYUJHKVSA-N. The full InChI is InChI=1S/C15H27ClOSi/c1-12-11-14(8-7-13(12)9-10-16)17-18(5,6)15(2,3)4/h9,14H,1,7-8,10-11H2,2-6H3/b13-9-/t14-/m0/s1.
What are the key properties of tert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane has a molecular weight of 286.92 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,4Z)-4-(2-chloroethylidene)-3-methylidenecyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 101065781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).