2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate

C27H51NO5Si2 — CID 91749312

IUPAC2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate
SMILESCOc1cc(C(CN(C)C(=O)OCC(C)C)O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H51NO5Si2/c1-20(2)19-31-25(29)28(9)18-24(33-35(13,14)27(6,7)8)21-15-16-22(23(17-21)30-10)32-34(11,12)26(3,4)5/h15-17,20,24H,18-19H2,1-14H3
InChIKeyAJXZZQAJAMFCDW-UHFFFAOYSA-N
MW525.88 g/mol
LogP7.87
Rot. Bonds10

About 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate

2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate (PubChem CID 91749312) has the molecular formula C27H51NO5Si2 and a molecular weight of 525.88 g/mol. Its IUPAC name is 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate
PubChem CID91749312
Molecular FormulaC27H51NO5Si2
Molecular Weight525.88 g/mol
Exact Mass525.33
IUPAC Name2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate
SMILESCOc1cc(C(CN(C)C(=O)OCC(C)C)O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H51NO5Si2/c1-20(2)19-31-25(29)28(9)18-24(33-35(13,14)27(6,7)8)21-15-16-22(23(17-21)30-10)32-34(11,12)26(3,4)5/h15-17,20,24H,18-19H2,1-14H3
InChIKeyAJXZZQAJAMFCDW-UHFFFAOYSA-N
XLogP7.87
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.88
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate?
The IUPAC name of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate (CID 91749312) is 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate.
What is the SMILES notation for 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate?
The canonical SMILES for 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate is COc1cc(C(CN(C)C(=O)OCC(C)C)O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate?
The InChIKey is AJXZZQAJAMFCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51NO5Si2/c1-20(2)19-31-25(29)28(9)18-24(33-35(13,14)27(6,7)8)21-15-16-22(23(17-21)30-10)32-34(11,12)26(3,4)5/h15-17,20,24H,18-19H2,1-14H3.
What are the key properties of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate?
2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate has a molecular weight of 525.88 g/mol, XLogP of 7.87, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 91749312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).