[1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate

C41H43NO5Si — CID 22467311

IUPAC[1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate
SMILESCC(C)(C)[Si](Oc1cccc2c1CCC(O)C(O)(COC(=O)N(c1ccccc1)c1ccccc1)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H43NO5Si/c1-40(2,3)48(34-22-12-6-13-23-34,35-24-14-7-15-25-35)47-37-26-16-17-31-29-41(45,38(43)28-27-36(31)37)30-46-39(44)42(32-18-8-4-9-19-32)33-20-10-5-11-21-33/h4-26,38,43,45H,27-30H2,1-3H3
InChIKeyOJCBMCCMFKXFPB-UHFFFAOYSA-N
MW657.88 g/mol
LogP7.18
Rot. Bonds8

About [1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate

[1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate (PubChem CID 22467311) has the molecular formula C41H43NO5Si and a molecular weight of 657.88 g/mol. Its IUPAC name is [1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate.

Molecular Properties

Compound Name[1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate
PubChem CID22467311
Molecular FormulaC41H43NO5Si
Molecular Weight657.88 g/mol
Exact Mass657.29
IUPAC Name[1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate
SMILESCC(C)(C)[Si](Oc1cccc2c1CCC(O)C(O)(COC(=O)N(c1ccccc1)c1ccccc1)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H43NO5Si/c1-40(2,3)48(34-22-12-6-13-23-34,35-24-14-7-15-25-35)47-37-26-16-17-31-29-41(45,38(43)28-27-36(31)37)30-46-39(44)42(32-18-8-4-9-19-32)33-20-10-5-11-21-33/h4-26,38,43,45H,27-30H2,1-3H3
InChIKeyOJCBMCCMFKXFPB-UHFFFAOYSA-N
XLogP7.18
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.88
LogP ≤ 57.18
H-Bond Donors ≤ 52
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 [1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate?
The IUPAC name of [1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate (CID 22467311) is [1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate.
What is the SMILES notation for [1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate?
The canonical SMILES for [1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate is CC(C)(C)[Si](Oc1cccc2c1CCC(O)C(O)(COC(=O)N(c1ccccc1)c1ccccc1)C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate?
The InChIKey is OJCBMCCMFKXFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H43NO5Si/c1-40(2,3)48(34-22-12-6-13-23-34,35-24-14-7-15-25-35)47-37-26-16-17-31-29-41(45,38(43)28-27-36(31)37)30-46-39(44)42(32-18-8-4-9-19-32)33-20-10-5-11-21-33/h4-26,38,43,45H,27-30H2,1-3H3.
What are the key properties of [1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate?
[1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate has a molecular weight of 657.88 g/mol, XLogP of 7.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate is sourced from PubChem (CID 22467311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).