methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate

C25H35NO5Si — CID 68802689

IUPACmethyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate
SMILESCCCCOC(=O)NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C25H35NO5Si/c1-6-7-18-30-24(28)26-22(23(27)29-5)19-31-32(25(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22H,6-7,18-19H2,1-5H3,(H,26,28)
InChIKeyNPWQGWCHEYHYCQ-UHFFFAOYSA-N
MW457.64 g/mol
LogP3.63
Rot. Bonds10

About methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate

methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate (PubChem CID 68802689) has the molecular formula C25H35NO5Si and a molecular weight of 457.64 g/mol. Its IUPAC name is methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate
PubChem CID68802689
Molecular FormulaC25H35NO5Si
Molecular Weight457.64 g/mol
Exact Mass457.23
IUPAC Namemethyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate
SMILESCCCCOC(=O)NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C25H35NO5Si/c1-6-7-18-30-24(28)26-22(23(27)29-5)19-31-32(25(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22H,6-7,18-19H2,1-5H3,(H,26,28)
InChIKeyNPWQGWCHEYHYCQ-UHFFFAOYSA-N
XLogP3.63
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.63
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate?
The IUPAC name of methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate (CID 68802689) is methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate.
What is the SMILES notation for methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate?
The canonical SMILES for methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate is CCCCOC(=O)NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate?
The InChIKey is NPWQGWCHEYHYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO5Si/c1-6-7-18-30-24(28)26-22(23(27)29-5)19-31-32(25(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22H,6-7,18-19H2,1-5H3,(H,26,28).
What are the key properties of methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate?
methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate has a molecular weight of 457.64 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate is sourced from PubChem (CID 68802689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).