5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one

C29H42O5Si2 — CID 15896566

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one
SMILESCC(C)(C)[Si](C)(C)OCCOc1cc(O[Si](C)(C)C(C)(C)C)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C29H42O5Si2/c1-28(2,3)35(7,8)32-17-16-31-22-18-25-27(26(19-22)34-36(9,10)29(4,5)6)23(30)20-24(33-25)21-14-12-11-13-15-21/h11-15,18-20H,16-17H2,1-10H3
InChIKeyDTLWQYCBNBEFIJ-UHFFFAOYSA-N
MW526.82 g/mol
LogP8.24
Rot. Bonds8

About 5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one

5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one (PubChem CID 15896566) has the molecular formula C29H42O5Si2 and a molecular weight of 526.82 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one
PubChem CID15896566
Molecular FormulaC29H42O5Si2
Molecular Weight526.82 g/mol
Exact Mass526.26
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one
SMILESCC(C)(C)[Si](C)(C)OCCOc1cc(O[Si](C)(C)C(C)(C)C)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C29H42O5Si2/c1-28(2,3)35(7,8)32-17-16-31-22-18-25-27(26(19-22)34-36(9,10)29(4,5)6)23(30)20-24(33-25)21-14-12-11-13-15-21/h11-15,18-20H,16-17H2,1-10H3
InChIKeyDTLWQYCBNBEFIJ-UHFFFAOYSA-N
XLogP8.24
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.82
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one
CID 141482087
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
5,7-dipropoxy-2-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 10476419
5,7-bis(difluoromethoxy)-2-phenylchromen-4-one
CID 86038552
7-(4-bromo-2,4-dimethylpentan-2-yl)oxy-5-hydroxy-2-phenylchromen-4-one
CID 91144753
2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
CID 141293952
7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one
CID 46898624
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
CID 6029612
4-bromobutyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
CID 53486698
tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane
CID 101433900

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one (CID 15896566) is 5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one is CC(C)(C)[Si](C)(C)OCCOc1cc(O[Si](C)(C)C(C)(C)C)c2c(=O)cc(-c3ccccc3)oc2c1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one?
The InChIKey is DTLWQYCBNBEFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42O5Si2/c1-28(2,3)35(7,8)32-17-16-31-22-18-25-27(26(19-22)34-36(9,10)29(4,5)6)23(30)20-24(33-25)21-14-12-11-13-15-21/h11-15,18-20H,16-17H2,1-10H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one?
5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one has a molecular weight of 526.82 g/mol, XLogP of 8.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 15896566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).