[1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate

C41H41NO3Si — CID 57109599

IUPAC[1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate
SMILESCC(C)(C)[Si](Oc1cccc2c1C(COC(=O)N(c1ccccc1)c1ccccc1)CC=CC2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H41NO3Si/c1-41(2,3)46(36-26-12-6-13-27-36,37-28-14-7-15-29-37)45-38-30-18-21-32-19-16-17-20-33(39(32)38)31-44-40(43)42(34-22-8-4-9-23-34)35-24-10-5-11-25-35/h4-18,21-30,33H,19-20,31H2,1-3H3
InChIKeyFMPKZJFQWIUUNM-UHFFFAOYSA-N
MW623.87 g/mol
LogP9.19
Rot. Bonds8

About [1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate

[1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate (PubChem CID 57109599) has the molecular formula C41H41NO3Si and a molecular weight of 623.87 g/mol. Its IUPAC name is [1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate.

Molecular Properties

Compound Name[1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate
PubChem CID57109599
Molecular FormulaC41H41NO3Si
Molecular Weight623.87 g/mol
Exact Mass623.29
IUPAC Name[1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate
SMILESCC(C)(C)[Si](Oc1cccc2c1C(COC(=O)N(c1ccccc1)c1ccccc1)CC=CC2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H41NO3Si/c1-41(2,3)46(36-26-12-6-13-27-36,37-28-14-7-15-29-37)45-38-30-18-21-32-19-16-17-20-33(39(32)38)31-44-40(43)42(34-22-8-4-9-23-34)35-24-10-5-11-25-35/h4-18,21-30,33H,19-20,31H2,1-3H3
InChIKeyFMPKZJFQWIUUNM-UHFFFAOYSA-N
XLogP9.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.87
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate
CID 22467311
2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate
CID 70187793
(4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one
CID 11017979
3-[(4R,6S,7R,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-2-oxo-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]propanal
CID 11239556
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 54011243
tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane
CID 69332486
[(1S,3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethenyl-1,2,3,4,5,6-hexahydropentalen-1-yl]methyl 2,2-dimethylpropanoate
CID 177461140
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylidene-2-oxopyrrolidine-1-carboxylate
CID 164561704
ethyl (1S,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 54371121

Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate?
The IUPAC name of [1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate (CID 57109599) is [1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate.
What is the SMILES notation for [1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate?
The canonical SMILES for [1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate is CC(C)(C)[Si](Oc1cccc2c1C(COC(=O)N(c1ccccc1)c1ccccc1)CC=CC2)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate?
The InChIKey is FMPKZJFQWIUUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41NO3Si/c1-41(2,3)46(36-26-12-6-13-27-36,37-28-14-7-15-29-37)45-38-30-18-21-32-19-16-17-20-33(39(32)38)31-44-40(43)42(34-22-8-4-9-23-34)35-24-10-5-11-25-35/h4-18,21-30,33H,19-20,31H2,1-3H3.
What are the key properties of [1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate?
[1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate has a molecular weight of 623.87 g/mol, XLogP of 9.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate is sourced from PubChem (CID 57109599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).