methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate

C16H26ClNO3Si — CID 67148148

IUPACmethyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H26ClNO3Si/c1-16(2,3)22(5,6)21-11-13-9-12(7-8-14(13)17)10-18-15(19)20-4/h7-9H,10-11H2,1-6H3,(H,18,19)
InChIKeyCTXSMVROYGHXPB-UHFFFAOYSA-N
MW343.93 g/mol
LogP4.72
Rot. Bonds5

About methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate

methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate (PubChem CID 67148148) has the molecular formula C16H26ClNO3Si and a molecular weight of 343.93 g/mol. Its IUPAC name is methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate
PubChem CID67148148
Molecular FormulaC16H26ClNO3Si
Molecular Weight343.93 g/mol
Exact Mass343.14
IUPAC Namemethyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H26ClNO3Si/c1-16(2,3)22(5,6)21-11-13-9-12(7-8-14(13)17)10-18-15(19)20-4/h7-9H,10-11H2,1-6H3,(H,18,19)
InChIKeyCTXSMVROYGHXPB-UHFFFAOYSA-N
XLogP4.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.93
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate?
The IUPAC name of methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate (CID 67148148) is methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate is COC(=O)NCc1ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate?
The InChIKey is CTXSMVROYGHXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO3Si/c1-16(2,3)22(5,6)21-11-13-9-12(7-8-14(13)17)10-18-15(19)20-4/h7-9H,10-11H2,1-6H3,(H,18,19).
What are the key properties of methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate?
methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate has a molecular weight of 343.93 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate is sourced from PubChem (CID 67148148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).