[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate

C22H29NO3Si — CID 91395092

IUPAC[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate
SMILESCNC(=O)OC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C22H29NO3Si/c1-21(2,3)27(18-11-7-5-8-12-18,19-13-9-6-10-14-19)25-17-22(15-16-22)26-20(24)23-4/h5-14H,15-17H2,1-4H3,(H,23,24)
InChIKeyBFZFCQZFUQYEBV-UHFFFAOYSA-N
MW383.56 g/mol
LogP3.45
Rot. Bonds6

About [1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate

[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate (PubChem CID 91395092) has the molecular formula C22H29NO3Si and a molecular weight of 383.56 g/mol. Its IUPAC name is [1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate.

Molecular Properties

Compound Name[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate
PubChem CID91395092
Molecular FormulaC22H29NO3Si
Molecular Weight383.56 g/mol
Exact Mass383.19
IUPAC Name[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate
SMILESCNC(=O)OC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C22H29NO3Si/c1-21(2,3)27(18-11-7-5-8-12-18,19-13-9-6-10-14-19)25-17-22(15-16-22)26-20(24)23-4/h5-14H,15-17H2,1-4H3,(H,23,24)
InChIKeyBFZFCQZFUQYEBV-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.45
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

methyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylate
CID 142526845
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid
CID 70871740
benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 68527039
1-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-dimethylcyclohexa-2,5-diene-1-carboxylic acid
CID 135075131
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
(E)-3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[2.2.2]octanyl]prop-2-enoic acid
CID 160957767
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]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol
CID 159943416

Frequently Asked Questions

What is the IUPAC name of [1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate?
The IUPAC name of [1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate (CID 91395092) is [1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate.
What is the SMILES notation for [1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate?
The canonical SMILES for [1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate is CNC(=O)OC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of [1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate?
The InChIKey is BFZFCQZFUQYEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3Si/c1-21(2,3)27(18-11-7-5-8-12-18,19-13-9-6-10-14-19)25-17-22(15-16-22)26-20(24)23-4/h5-14H,15-17H2,1-4H3,(H,23,24).
What are the key properties of [1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate?
[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate has a molecular weight of 383.56 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate is sourced from PubChem (CID 91395092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).