8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

C18H24O3Si — CID 58862309

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)c3c(c2c1)CCC3
InChIInChI=1S/C18H24O3Si/c1-18(2,3)22(4,5)21-12-9-10-16-15(11-12)13-7-6-8-14(13)17(19)20-16/h9-11H,6-8H2,1-5H3
InChIKeyINWQAYFXVHMHPD-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.67
Rot. Bonds2

About 8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 58862309) has the molecular formula C18H24O3Si and a molecular weight of 316.47 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID58862309
Molecular FormulaC18H24O3Si
Molecular Weight316.47 g/mol
Exact Mass316.15
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)c3c(c2c1)CCC3
InChIInChI=1S/C18H24O3Si/c1-18(2,3)22(4,5)21-12-9-10-16-15(11-12)13-7-6-8-14(13)17(19)20-16/h9-11H,6-8H2,1-5H3
InChIKeyINWQAYFXVHMHPD-UHFFFAOYSA-N
XLogP4.67
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-4-methylcoumarin
CID 223821
6-Methoxy-3-(4-methylphenyl)coumarin
CID 56594087
6-[Tert-butyl(dimethyl)silyl]oxychromen-2-one
CID 57384052
Flavidulol D
CID 131752918
6-Methoxy-3-(3-methylphenyl)chromen-2-one
CID 56594086
(4-Methyl-2-oxochromen-6-yl) propanoate
CID 879296
3-Benzyl-6-methoxychromen-2-one
CID 44592049
6-Methoxychroman-2-one
CID 266743
6-methoxy-3-(4-methoxyphenyl)-4-methyl-2H-chromen-2-one
CID 688974
8-hydroxy-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
CID 14471962
4-methyl-2-oxo-2H-chromen-6-yl 3-methylbutanoate
CID 700026
4-methyl-2-oxo-2H-chromen-6-yl acetate
CID 238948

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 58862309) is 8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is CC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)c3c(c2c1)CCC3.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is INWQAYFXVHMHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3Si/c1-18(2,3)22(4,5)21-12-9-10-16-15(11-12)13-7-6-8-14(13)17(19)20-16/h9-11H,6-8H2,1-5H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one has a molecular weight of 316.47 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 58862309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).