6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one

C24H44O4Si2 — CID 101218249

IUPAC6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one
SMILESCc1oc(=O)c(C)c2c1CC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C24H44O4Si2/c1-17-19-13-24(14-20(19)18(2)28-21(17)25,15-26-29(9,10)22(3,4)5)16-27-30(11,12)23(6,7)8/h13-16H2,1-12H3
InChIKeyXGDGMAXOULGGNR-UHFFFAOYSA-N
MW452.78 g/mol
LogP6.39
Rot. Bonds6

About 6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one

6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one (PubChem CID 101218249) has the molecular formula C24H44O4Si2 and a molecular weight of 452.78 g/mol. Its IUPAC name is 6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one.

Molecular Properties

Compound Name6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one
PubChem CID101218249
Molecular FormulaC24H44O4Si2
Molecular Weight452.78 g/mol
Exact Mass452.28
IUPAC Name6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one
SMILESCc1oc(=O)c(C)c2c1CC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C24H44O4Si2/c1-17-19-13-24(14-20(19)18(2)28-21(17)25,15-26-29(9,10)22(3,4)5)16-27-30(11,12)23(6,7)8/h13-16H2,1-12H3
InChIKeyXGDGMAXOULGGNR-UHFFFAOYSA-N
XLogP6.39
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.78
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,6-Bis[[tert-butyl(dimethyl)silyl]methoxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one
CID 135062567
Dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 135063180
6,6-Bis(methoxymethyl)-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one
CID 101874404

Frequently Asked Questions

What is the IUPAC name of 6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one?
The IUPAC name of 6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one (CID 101218249) is 6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one.
What is the SMILES notation for 6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one?
The canonical SMILES for 6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one is Cc1oc(=O)c(C)c2c1CC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of 6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one?
The InChIKey is XGDGMAXOULGGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O4Si2/c1-17-19-13-24(14-20(19)18(2)28-21(17)25,15-26-29(9,10)22(3,4)5)16-27-30(11,12)23(6,7)8/h13-16H2,1-12H3.
What are the key properties of 6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one?
6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one has a molecular weight of 452.78 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one is sourced from PubChem (CID 101218249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).