[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate

C24H33NO4Si — CID 174190151

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate
SMILESCc1cc2c(cc1OC(N)=O)C(C)(C)Oc1cc(O[Si](C)(C)C(C)(C)C)c(C)cc1-2
InChIInChI=1S/C24H33NO4Si/c1-14-10-16-17-11-15(2)20(29-30(8,9)23(3,4)5)13-21(17)28-24(6,7)18(16)12-19(14)27-22(25)26/h10-13H,1-9H3,(H2,25,26)
InChIKeyFWOYPMSVKYRQNJ-UHFFFAOYSA-N
MW427.62 g/mol
LogP6.44
Rot. Bonds3

About [3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate

[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate (PubChem CID 174190151) has the molecular formula C24H33NO4Si and a molecular weight of 427.62 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate
PubChem CID174190151
Molecular FormulaC24H33NO4Si
Molecular Weight427.62 g/mol
Exact Mass427.22
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate
SMILESCc1cc2c(cc1OC(N)=O)C(C)(C)Oc1cc(O[Si](C)(C)C(C)(C)C)c(C)cc1-2
InChIInChI=1S/C24H33NO4Si/c1-14-10-16-17-11-15(2)20(29-30(8,9)23(3,4)5)13-21(17)28-24(6,7)18(16)12-19(14)27-22(25)26/h10-13H,1-9H3,(H2,25,26)
InChIKeyFWOYPMSVKYRQNJ-UHFFFAOYSA-N
XLogP6.44
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.62
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine
CID 170744424
6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid
CID 21107237
(8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid
CID 174190161
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide
CID 18942782
[4-(4-tert-butyl-1,3,5-triazin-2-yl)-5-fluoro-2-methylphenyl] carbamate
CID 175601308
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
CID 167716868
ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]-3-cyano-3-isocyano-2-methylpropanoate
CID 153437653
4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylaniline
CID 11043205
[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]methanol
CID 139943085
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde
CID 87059060
4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline
CID 167739749
3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline
CID 167728842

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate (CID 174190151) is [3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate is Cc1cc2c(cc1OC(N)=O)C(C)(C)Oc1cc(O[Si](C)(C)C(C)(C)C)c(C)cc1-2.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate?
The InChIKey is FWOYPMSVKYRQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4Si/c1-14-10-16-17-11-15(2)20(29-30(8,9)23(3,4)5)13-21(17)28-24(6,7)18(16)12-19(14)27-22(25)26/h10-13H,1-9H3,(H2,25,26).
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate?
[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate has a molecular weight of 427.62 g/mol, XLogP of 6.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-2,6,6,9-tetramethylbenzo[c]chromen-8-yl] carbamate is sourced from PubChem (CID 174190151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).