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

C15H22O3Si — CID 162711473

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one
SMILESCC(C)(C)[Si](C)(C)OC1Cc2ccccc2OC1=O
InChIInChI=1S/C15H22O3Si/c1-15(2,3)19(4,5)18-13-10-11-8-6-7-9-12(11)17-14(13)16/h6-9,13H,10H2,1-5H3
InChIKeyLBOYFXXZGLDUBN-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.54
Rot. Bonds2

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

3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one (PubChem CID 162711473) has the molecular formula C15H22O3Si and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one
PubChem CID162711473
Molecular FormulaC15H22O3Si
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one
SMILESCC(C)(C)[Si](C)(C)OC1Cc2ccccc2OC1=O
InChIInChI=1S/C15H22O3Si/c1-15(2,3)19(4,5)18-13-10-11-8-6-7-9-12(11)17-14(13)16/h6-9,13H,10H2,1-5H3
InChIKeyLBOYFXXZGLDUBN-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
3-acetyl-3,4-dihydrochromen-2-one
CID 15418519
(3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one
CID 14941867
(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 89246042
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 10907211
2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-amine
CID 76789433
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 69170270
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
trans-(9R,11R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-11-phenyl-oxacycloundecan-2-one
CID 56603590
3-(2-phenylphenyl)sulfonyl-3,4-dihydrochromen-2-one
CID 175550631
(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one
CID 101106032

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one (CID 162711473) is 3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one is CC(C)(C)[Si](C)(C)OC1Cc2ccccc2OC1=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one?
The InChIKey is LBOYFXXZGLDUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3Si/c1-15(2,3)19(4,5)18-13-10-11-8-6-7-9-12(11)17-14(13)16/h6-9,13H,10H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one?
3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one has a molecular weight of 278.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one is sourced from PubChem (CID 162711473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).