tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane

C27H36O2Si — CID 170737732

IUPACtert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane
SMILESCOC=CC12CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)(CC1)C2
InChIInChI=1S/C27H36O2Si/c1-25(2,3)30(23-11-7-5-8-12-23,24-13-9-6-10-14-24)29-22-27-17-15-26(21-27,16-18-27)19-20-28-4/h5-14,19-20H,15-18,21-22H2,1-4H3
InChIKeyCWIMNUROOYSHPH-UHFFFAOYSA-N
MW420.67 g/mol
LogP5.67
Rot. Bonds7

About tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane

tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane (PubChem CID 170737732) has the molecular formula C27H36O2Si and a molecular weight of 420.67 g/mol. Its IUPAC name is tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane
PubChem CID170737732
Molecular FormulaC27H36O2Si
Molecular Weight420.67 g/mol
Exact Mass420.25
IUPAC Nametert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane
SMILESCOC=CC12CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)(CC1)C2
InChIInChI=1S/C27H36O2Si/c1-25(2,3)30(23-11-7-5-8-12-23,24-13-9-6-10-14-24)29-22-27-17-15-26(21-27,16-18-27)19-20-28-4/h5-14,19-20H,15-18,21-22H2,1-4H3
InChIKeyCWIMNUROOYSHPH-UHFFFAOYSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane with MolForge

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Related Compounds

(E)-3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[2.2.2]octanyl]prop-2-enoic acid
CID 160957767
benzyl (E)-3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[2.2.2]octanyl]prop-2-enoate
CID 142527042
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
methyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylate
CID 142526845
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
CID 58018780
1-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-dimethylcyclohexa-2,5-diene-1-carboxylic acid
CID 135075131
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol
CID 159943416
tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
CID 10763220
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane (CID 170737732) is tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane is COC=CC12CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)(CC1)C2.
What is the InChIKey of tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane?
The InChIKey is CWIMNUROOYSHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2Si/c1-25(2,3)30(23-11-7-5-8-12-23,24-13-9-6-10-14-24)29-22-27-17-15-26(21-27,16-18-27)19-20-28-4/h5-14,19-20H,15-18,21-22H2,1-4H3.
What are the key properties of tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane?
tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane has a molecular weight of 420.67 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane is sourced from PubChem (CID 170737732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).