benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate

C29H35NO3Si — CID 68527039

IUPACbenzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate
SMILESCC(C)(C)[Si](OCC1(CNC(=O)OCc2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO3Si/c1-28(2,3)34(25-15-9-5-10-16-25,26-17-11-6-12-18-26)33-23-29(19-20-29)22-30-27(31)32-21-24-13-7-4-8-14-24/h4-18H,19-23H2,1-3H3,(H,30,31)
InChIKeyRJEMEINRPZSNDG-UHFFFAOYSA-N
MW473.69 g/mol
LogP5.27
Rot. Bonds9

About benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate

benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate (PubChem CID 68527039) has the molecular formula C29H35NO3Si and a molecular weight of 473.69 g/mol. Its IUPAC name is benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate
PubChem CID68527039
Molecular FormulaC29H35NO3Si
Molecular Weight473.69 g/mol
Exact Mass473.24
IUPAC Namebenzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate
SMILESCC(C)(C)[Si](OCC1(CNC(=O)OCc2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO3Si/c1-28(2,3)34(25-15-9-5-10-16-25,26-17-11-6-12-18-26)33-23-29(19-20-29)22-30-27(31)32-21-24-13-7-4-8-14-24/h4-18H,19-23H2,1-3H3,(H,30,31)
InChIKeyRJEMEINRPZSNDG-UHFFFAOYSA-N
XLogP5.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.69
LogP ≤ 55.27
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

benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 169099958
benzyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 171482171
benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate
CID 58777440
benzyl (E)-3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[2.2.2]octanyl]prop-2-enoate
CID 142527042
ethyl 3-bromo-4-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-2-oxobutanoate
CID 155592367
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate
CID 91395092
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 66637054
benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
CID 131638009
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
(3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate
CID 10791831

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate?
The IUPAC name of benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate (CID 68527039) is benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate is CC(C)(C)[Si](OCC1(CNC(=O)OCc2ccccc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate?
The InChIKey is RJEMEINRPZSNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3Si/c1-28(2,3)34(25-15-9-5-10-16-25,26-17-11-6-12-18-26)33-23-29(19-20-29)22-30-27(31)32-21-24-13-7-4-8-14-24/h4-18H,19-23H2,1-3H3,(H,30,31).
What are the key properties of benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate?
benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate has a molecular weight of 473.69 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate is sourced from PubChem (CID 68527039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).