4,7-bis(trimethylsilyloxy)chromen-2-one

C15H22O4Si2 — CID 90256258

IUPAC4,7-bis(trimethylsilyloxy)chromen-2-one
SMILESC[Si](C)(C)Oc1ccc2c(O[Si](C)(C)C)cc(=O)oc2c1
InChIInChI=1S/C15H22O4Si2/c1-20(2,3)18-11-7-8-12-13(9-11)17-15(16)10-14(12)19-21(4,5)6/h7-10H,1-6H3
InChIKeyYJYVWOLRBUXAGN-UHFFFAOYSA-N
MW322.51 g/mol
LogP4.22
Rot. Bonds4

About 4,7-bis(trimethylsilyloxy)chromen-2-one

4,7-bis(trimethylsilyloxy)chromen-2-one (PubChem CID 90256258) has the molecular formula C15H22O4Si2 and a molecular weight of 322.51 g/mol. Its IUPAC name is 4,7-bis(trimethylsilyloxy)chromen-2-one.

Molecular Properties

Compound Name4,7-bis(trimethylsilyloxy)chromen-2-one
PubChem CID90256258
Molecular FormulaC15H22O4Si2
Molecular Weight322.51 g/mol
Exact Mass322.11
IUPAC Name4,7-bis(trimethylsilyloxy)chromen-2-one
SMILESC[Si](C)(C)Oc1ccc2c(O[Si](C)(C)C)cc(=O)oc2c1
InChIInChI=1S/C15H22O4Si2/c1-20(2,3)18-11-7-8-12-13(9-11)17-15(16)10-14(12)19-21(4,5)6/h7-10H,1-6H3
InChIKeyYJYVWOLRBUXAGN-UHFFFAOYSA-N
XLogP4.22
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.51
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one
CID 529518
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
4-[3-(dimethylamino)propoxy]-7-methoxychromen-2-one;hydrochloride
CID 87594139
7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one
CID 83269220
4-ethoxy-7-methylchromen-2-one
CID 688944
[1-[2,7-bis(trimethylsilyloxy)naphthalen-1-yl]-7-trimethylsilyloxynaphthalen-2-yl]oxy-trimethylsilane
CID 162501255
sodium 7-(methoxymethoxy)-2-oxochromen-4-olate
CID 23717345
(5-acetyloxy-2-oxochromen-7-yl) acetate
CID 850911
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
7-methoxy-4-(trifluoromethyl)chromen-2-one
CID 688586
4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
CID 46879082
4-amino-7-butoxychromen-2-one
CID 175494716

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(trimethylsilyloxy)chromen-2-one?
The IUPAC name of 4,7-bis(trimethylsilyloxy)chromen-2-one (CID 90256258) is 4,7-bis(trimethylsilyloxy)chromen-2-one.
What is the SMILES notation for 4,7-bis(trimethylsilyloxy)chromen-2-one?
The canonical SMILES for 4,7-bis(trimethylsilyloxy)chromen-2-one is C[Si](C)(C)Oc1ccc2c(O[Si](C)(C)C)cc(=O)oc2c1.
What is the InChIKey of 4,7-bis(trimethylsilyloxy)chromen-2-one?
The InChIKey is YJYVWOLRBUXAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4Si2/c1-20(2,3)18-11-7-8-12-13(9-11)17-15(16)10-14(12)19-21(4,5)6/h7-10H,1-6H3.
What are the key properties of 4,7-bis(trimethylsilyloxy)chromen-2-one?
4,7-bis(trimethylsilyloxy)chromen-2-one has a molecular weight of 322.51 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(trimethylsilyloxy)chromen-2-one is sourced from PubChem (CID 90256258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).