methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate

C23H31NO5Si — CID 145400593

IUPACmethyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate
SMILESCOC(=O)N(CO)C(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H31NO5Si/c1-23(2,3)30(19-12-7-5-8-13-19,20-14-9-6-10-15-20)29-17-11-16-21(26)24(18-25)22(27)28-4/h5-10,12-15,25H,11,16-18H2,1-4H3
InChIKeyAOSWFUUDFZTBFH-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.89
Rot. Bonds8

About methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate

methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate (PubChem CID 145400593) has the molecular formula C23H31NO5Si and a molecular weight of 429.59 g/mol. Its IUPAC name is methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate.

Molecular Properties

Compound Namemethyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate
PubChem CID145400593
Molecular FormulaC23H31NO5Si
Molecular Weight429.59 g/mol
Exact Mass429.20
IUPAC Namemethyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate
SMILESCOC(=O)N(CO)C(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H31NO5Si/c1-23(2,3)30(19-12-7-5-8-13-19,20-14-9-6-10-15-20)29-17-11-16-21(26)24(18-25)22(27)28-4/h5-10,12-15,25H,11,16-18H2,1-4H3
InChIKeyAOSWFUUDFZTBFH-UHFFFAOYSA-N
XLogP2.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate?
The IUPAC name of methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate (CID 145400593) is methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate.
What is the SMILES notation for methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate?
The canonical SMILES for methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate is COC(=O)N(CO)C(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate?
The InChIKey is AOSWFUUDFZTBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5Si/c1-23(2,3)30(19-12-7-5-8-13-19,20-14-9-6-10-15-20)29-17-11-16-21(26)24(18-25)22(27)28-4/h5-10,12-15,25H,11,16-18H2,1-4H3.
What are the key properties of methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate?
methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate has a molecular weight of 429.59 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate is sourced from PubChem (CID 145400593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).