tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane

C26H30O3Si — CID 162648796

IUPACtert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane
SMILESCOc1ccc2c(c1)-c1ccccc1OC2c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C26H30O3Si/c1-26(2,3)30(5,6)29-19-13-11-18(12-14-19)25-22-16-15-20(27-4)17-23(22)21-9-7-8-10-24(21)28-25/h7-17,25H,1-6H3
InChIKeyYYPSTUYGKAOBMN-UHFFFAOYSA-N
MW418.61 g/mol
LogP7.23
Rot. Bonds4

About tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane

tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane (PubChem CID 162648796) has the molecular formula C26H30O3Si and a molecular weight of 418.61 g/mol. Its IUPAC name is tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane
PubChem CID162648796
Molecular FormulaC26H30O3Si
Molecular Weight418.61 g/mol
Exact Mass418.20
IUPAC Nametert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane
SMILESCOc1ccc2c(c1)-c1ccccc1OC2c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C26H30O3Si/c1-26(2,3)30(5,6)29-19-13-11-18(12-14-19)25-22-16-15-20(27-4)17-23(22)21-9-7-8-10-24(21)28-25/h7-17,25H,1-6H3
InChIKeyYYPSTUYGKAOBMN-UHFFFAOYSA-N
XLogP7.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.61
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane (CID 162648796) is tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane is COc1ccc2c(c1)-c1ccccc1OC2c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane?
The InChIKey is YYPSTUYGKAOBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3Si/c1-26(2,3)30(5,6)29-19-13-11-18(12-14-19)25-22-16-15-20(27-4)17-23(22)21-9-7-8-10-24(21)28-25/h7-17,25H,1-6H3.
What are the key properties of tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane?
tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane has a molecular weight of 418.61 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane is sourced from PubChem (CID 162648796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).