tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane

C25H34OSi — CID 156858499

IUPACtert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
SMILESC=CC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C25H34OSi/c1-5-21-16-18-22(19-17-21)20-26-27(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h5-15,21-22H,1,16-20H2,2-4H3
InChIKeyVOMQKFGKEBWKRR-UHFFFAOYSA-N
MW378.63 g/mol
LogP5.56
Rot. Bonds6

About tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane

tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane (PubChem CID 156858499) has the molecular formula C25H34OSi and a molecular weight of 378.63 g/mol. Its IUPAC name is tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
PubChem CID156858499
Molecular FormulaC25H34OSi
Molecular Weight378.63 g/mol
Exact Mass378.24
IUPAC Nametert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
SMILESC=CC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C25H34OSi/c1-5-21-16-18-22(19-17-21)20-26-27(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h5-15,21-22H,1,16-20H2,2-4H3
InChIKeyVOMQKFGKEBWKRR-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.63
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
trans-(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409597
cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409596
tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane
CID 159922386
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 90317821
tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane
CID 163204350
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
CID 101065622
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one
CID 134880347
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane (CID 156858499) is tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane is C=CC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane?
The InChIKey is VOMQKFGKEBWKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34OSi/c1-5-21-16-18-22(19-17-21)20-26-27(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h5-15,21-22H,1,16-20H2,2-4H3.
What are the key properties of tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane?
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane has a molecular weight of 378.63 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane is sourced from PubChem (CID 156858499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).