tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane

C30H45NO2Si — CID 57427861

IUPACtert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCC1(CCN2CCOCC2)CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H45NO2Si/c1-29(2,3)34(27-13-7-4-8-14-27,28-15-9-5-10-16-28)33-24-20-30(17-11-6-12-18-30)19-21-31-22-25-32-26-23-31/h4-5,7-10,13-16H,6,11-12,17-26H2,1-3H3
InChIKeyPBZDJMSRXSFVCU-UHFFFAOYSA-N
MW479.78 g/mol
LogP5.63
Rot. Bonds9

About tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane

tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane (PubChem CID 57427861) has the molecular formula C30H45NO2Si and a molecular weight of 479.78 g/mol. Its IUPAC name is tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane
PubChem CID57427861
Molecular FormulaC30H45NO2Si
Molecular Weight479.78 g/mol
Exact Mass479.32
IUPAC Nametert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCC1(CCN2CCOCC2)CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H45NO2Si/c1-29(2,3)34(27-13-7-4-8-14-27,28-15-9-5-10-16-28)33-24-20-30(17-11-6-12-18-30)19-21-31-22-25-32-26-23-31/h4-5,7-10,13-16H,6,11-12,17-26H2,1-3H3
InChIKeyPBZDJMSRXSFVCU-UHFFFAOYSA-N
XLogP5.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.78
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile
CID 59714965
2-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxetan-3-yl]ethanol
CID 177119133
2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde
CID 59714908
[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutyl] 2-morpholin-4-ylethanesulfonate
CID 15946583
3-[4-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]butoxycarbonyl]-4-ethoxy-4-oxobutanoic acid
CID 174441455
2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
CID 53423592
N-[4-[2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]ethyl]-4-methylcyclohexa-1,5-dien-1-yl]piperidin-1-amine
CID 69144950
2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethanol
CID 23109889
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane
CID 57041576

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane (CID 57427861) is tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane is CC(C)(C)[Si](OCCC1(CCN2CCOCC2)CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane?
The InChIKey is PBZDJMSRXSFVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NO2Si/c1-29(2,3)34(27-13-7-4-8-14-27,28-15-9-5-10-16-28)33-24-20-30(17-11-6-12-18-30)19-21-31-22-25-32-26-23-31/h4-5,7-10,13-16H,6,11-12,17-26H2,1-3H3.
What are the key properties of tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane?
tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane has a molecular weight of 479.78 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane is sourced from PubChem (CID 57427861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).