[2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate

C24H31BrO4Si — CID 58645450

IUPAC[2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate
SMILESCOCC(=O)OC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1CBr
InChIInChI=1S/C24H31BrO4Si/c1-23(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)28-18-24(15-19(24)16-25)29-22(26)17-27-4/h5-14,19H,15-18H2,1-4H3
InChIKeyRYCXJCYIPMAADS-UHFFFAOYSA-N
MW491.50 g/mol
LogP3.91
Rot. Bonds9

About [2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate

[2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate (PubChem CID 58645450) has the molecular formula C24H31BrO4Si and a molecular weight of 491.50 g/mol. Its IUPAC name is [2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate
PubChem CID58645450
Molecular FormulaC24H31BrO4Si
Molecular Weight491.50 g/mol
Exact Mass490.12
IUPAC Name[2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate
SMILESCOCC(=O)OC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1CBr
InChIInChI=1S/C24H31BrO4Si/c1-23(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)28-18-24(15-19(24)16-25)29-22(26)17-27-4/h5-14,19H,15-18H2,1-4H3
InChIKeyRYCXJCYIPMAADS-UHFFFAOYSA-N
XLogP3.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379
tert-butyl-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxycyclohexyl]carbamic acid
CID 70871740
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate
CID 91395092
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
ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorocyclopropane-1-carboxylate
CID 174055534
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-fluorocyclopropyl]methyl benzoate
CID 142743872
methyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylate
CID 142526845
methyl (1S,5S,6S)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-bis(methoxymethoxy)cyclohex-2-ene-1-carboxylate
CID 102039676
[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 67980790

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate?
The IUPAC name of [2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate (CID 58645450) is [2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate.
What is the SMILES notation for [2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate?
The canonical SMILES for [2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate is COCC(=O)OC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1CBr.
What is the InChIKey of [2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate?
The InChIKey is RYCXJCYIPMAADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrO4Si/c1-23(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)28-18-24(15-19(24)16-25)29-22(26)17-27-4/h5-14,19H,15-18H2,1-4H3.
What are the key properties of [2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate?
[2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate has a molecular weight of 491.50 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] 2-methoxyacetate is sourced from PubChem (CID 58645450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).