7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one

C27H38O5Si2 — CID 11271963

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2coc3cc(O[Si](C)(C)C(C)(C)C)cc(O)c3c2=O)cc1
InChIInChI=1S/C27H38O5Si2/c1-26(2,3)33(7,8)31-19-13-11-18(12-14-19)21-17-30-23-16-20(15-22(28)24(23)25(21)29)32-34(9,10)27(4,5)6/h11-17,28H,1-10H3
InChIKeyVUTTWIFYFKOVOJ-UHFFFAOYSA-N
MW498.77 g/mol
LogP7.93
Rot. Bonds5

About 7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one

7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one (PubChem CID 11271963) has the molecular formula C27H38O5Si2 and a molecular weight of 498.77 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one
PubChem CID11271963
Molecular FormulaC27H38O5Si2
Molecular Weight498.77 g/mol
Exact Mass498.23
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2coc3cc(O[Si](C)(C)C(C)(C)C)cc(O)c3c2=O)cc1
InChIInChI=1S/C27H38O5Si2/c1-26(2,3)33(7,8)31-19-13-11-18(12-14-19)21-17-30-23-16-20(15-22(28)24(23)25(21)29)32-34(9,10)27(4,5)6/h11-17,28H,1-10H3
InChIKeyVUTTWIFYFKOVOJ-UHFFFAOYSA-N
XLogP7.93
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.77
LogP ≤ 57.93
H-Bond Donors ≤ 51
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 7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one (CID 11271963) is 7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one is CC(C)(C)[Si](C)(C)Oc1ccc(-c2coc3cc(O[Si](C)(C)C(C)(C)C)cc(O)c3c2=O)cc1.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one?
The InChIKey is VUTTWIFYFKOVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O5Si2/c1-26(2,3)33(7,8)31-19-13-11-18(12-14-19)21-17-30-23-16-20(15-22(28)24(23)25(21)29)32-34(9,10)27(4,5)6/h11-17,28H,1-10H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one?
7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one has a molecular weight of 498.77 g/mol, XLogP of 7.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one is sourced from PubChem (CID 11271963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).