tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate

C28H39NO3Si — CID 161311223

IUPACtert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1=CCCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C28H39NO3Si/c1-27(2,3)32-26(30)29-23-15-13-14-22(20-23)21-31-33(28(4,5)6,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h7-12,15-19,22H,13-14,20-21H2,1-6H3,(H,29,30)
InChIKeyVIXJUCZNPBHCIQ-UHFFFAOYSA-N
MW465.71 g/mol
LogP5.77
Rot. Bonds6

About tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate

tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate (PubChem CID 161311223) has the molecular formula C28H39NO3Si and a molecular weight of 465.71 g/mol. Its IUPAC name is tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate
PubChem CID161311223
Molecular FormulaC28H39NO3Si
Molecular Weight465.71 g/mol
Exact Mass465.27
IUPAC Nametert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1=CCCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C28H39NO3Si/c1-27(2,3)32-26(30)29-23-15-13-14-22(20-23)21-31-33(28(4,5)6,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h7-12,15-19,22H,13-14,20-21H2,1-6H3,(H,29,30)
InChIKeyVIXJUCZNPBHCIQ-UHFFFAOYSA-N
XLogP5.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.71
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one
CID 11047178
tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethylhept-6-en-2-yl]carbamate
CID 58330043
tert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate
CID 175625663
tert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
CID 10973368
tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate
CID 11671194
tert-butyl N-[(1R,2S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
CID 42631456

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate (CID 161311223) is tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate is CC(C)(C)OC(=O)NC1=CCCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate?
The InChIKey is VIXJUCZNPBHCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO3Si/c1-27(2,3)32-26(30)29-23-15-13-14-22(20-23)21-31-33(28(4,5)6,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h7-12,15-19,22H,13-14,20-21H2,1-6H3,(H,29,30).
What are the key properties of tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate?
tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate has a molecular weight of 465.71 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate is sourced from PubChem (CID 161311223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).