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

Related Compounds

tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane
CID 11243654
[2-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethyl]phenyl]-oxo-phenylphosphanium
CID 54070161
tert-butyl-dimethyl-(5-methylidenecyclooctyl)oxysilane
CID 11118631
(2E)-2-[(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 101099401
(2Z)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 18654178
(2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
CID 14483735
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile
CID 68733627
tert-butyl-[(3Z,5S)-3-(2-chloroethylidene)-5-methyl-2-methylidenecyclohexyl]oxy-dimethylsilane;tert-butyl-[(3Z,5S)-3-(2-diphenylphosphorylethylidene)-5-methyl-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 54455919
[3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 142680846
(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane
CID 23377895
2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol
CID 91351907
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575

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).