tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid

C29H43NO4Si — CID 70871740

IUPACtert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid
SMILESCOC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC(N(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C29H43NO4Si/c1-27(2,3)30(26(31)32)23-18-20-29(33-7,21-19-23)22-34-35(28(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,23H,18-22H2,1-7H3,(H,31,32)
InChIKeyLKPUQKQYLAPWLG-UHFFFAOYSA-N
MW497.75 g/mol
LogP5.67
Rot. Bonds7

About tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid

tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid (PubChem CID 70871740) has the molecular formula C29H43NO4Si and a molecular weight of 497.75 g/mol. Its IUPAC name is tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid
PubChem CID70871740
Molecular FormulaC29H43NO4Si
Molecular Weight497.75 g/mol
Exact Mass497.30
IUPAC Nametert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid
SMILESCOC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC(N(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C29H43NO4Si/c1-27(2,3)30(26(31)32)23-18-20-29(33-7,21-19-23)22-34-35(28(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,23H,18-22H2,1-7H3,(H,31,32)
InChIKeyLKPUQKQYLAPWLG-UHFFFAOYSA-N
XLogP5.67
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.75
LogP ≤ 55.67
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

[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate
CID 91395092
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
methyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylate
CID 142526845
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 156837021
[2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate
CID 58645450
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
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
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate
CID 58777440
(E)-3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[2.2.2]octanyl]prop-2-enoic acid
CID 160957767
tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
CID 177426805

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid?
The IUPAC name of tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid (CID 70871740) is tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid.
What is the SMILES notation for tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid?
The canonical SMILES for tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid is COC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC(N(C(=O)O)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid?
The InChIKey is LKPUQKQYLAPWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43NO4Si/c1-27(2,3)30(26(31)32)23-18-20-29(33-7,21-19-23)22-34-35(28(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,23H,18-22H2,1-7H3,(H,31,32).
What are the key properties of tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid?
tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid has a molecular weight of 497.75 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid is sourced from PubChem (CID 70871740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).