7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one

C25H26O3Si — CID 58438647

IUPAC7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one
SMILESCC(C)(C)[Si](Oc1ccc2c(c1)OCCC2=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O3Si/c1-25(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-19-14-15-22-23(26)16-17-27-24(22)18-19/h4-15,18H,16-17H2,1-3H3
InChIKeyMJAFYTUACVSARH-UHFFFAOYSA-N
MW402.57 g/mol
LogP4.59
Rot. Bonds4

About 7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one

7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one (PubChem CID 58438647) has the molecular formula C25H26O3Si and a molecular weight of 402.57 g/mol. Its IUPAC name is 7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one
PubChem CID58438647
Molecular FormulaC25H26O3Si
Molecular Weight402.57 g/mol
Exact Mass402.17
IUPAC Name7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one
SMILESCC(C)(C)[Si](Oc1ccc2c(c1)OCCC2=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O3Si/c1-25(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-19-14-15-22-23(26)16-17-27-24(22)18-19/h4-15,18H,16-17H2,1-3H3
InChIKeyMJAFYTUACVSARH-UHFFFAOYSA-N
XLogP4.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.57
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-oxo-2,3-dihydrochromen-7-yl) acetate
CID 3498336
1-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]ethanamine
CID 68688965
7-methyl-2,3-dihydrochromen-4-one;hydrochloride
CID 127263931
7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 69455047
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 18433482
5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybenzamide
CID 177114927
7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one
CID 141195372
4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]butanoic acid
CID 142606333
3-[6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroinden-1-yl]prop-2-enal
CID 173311465

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one?
The IUPAC name of 7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one (CID 58438647) is 7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one is CC(C)(C)[Si](Oc1ccc2c(c1)OCCC2=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one?
The InChIKey is MJAFYTUACVSARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3Si/c1-25(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-19-14-15-22-23(26)16-17-27-24(22)18-19/h4-15,18H,16-17H2,1-3H3.
What are the key properties of 7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one?
7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one has a molecular weight of 402.57 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 58438647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).