10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one

C25H48O4Si2 — CID 146168484

IUPAC10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one
SMILESCC1(CO[Si](C)(C)C(C)(C)C)CCCC2(C=CC(=O)OC2)C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H48O4Si2/c1-22(2,3)30(8,9)28-17-20-24(7,18-29-31(10,11)23(4,5)6)14-12-15-25(20)16-13-21(26)27-19-25/h13,16,20H,12,14-15,17-19H2,1-11H3
InChIKeyKWSUWIPYRSYABY-UHFFFAOYSA-N
MW468.83 g/mol
LogP6.94
Rot. Bonds6

About 10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one

10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one (PubChem CID 146168484) has the molecular formula C25H48O4Si2 and a molecular weight of 468.83 g/mol. Its IUPAC name is 10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one.

Molecular Properties

Compound Name10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one
PubChem CID146168484
Molecular FormulaC25H48O4Si2
Molecular Weight468.83 g/mol
Exact Mass468.31
IUPAC Name10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one
SMILESCC1(CO[Si](C)(C)C(C)(C)C)CCCC2(C=CC(=O)OC2)C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H48O4Si2/c1-22(2,3)30(8,9)28-17-20-24(7,18-29-31(10,11)23(4,5)6)14-12-15-25(20)16-13-21(26)27-19-25/h13,16,20H,12,14-15,17-19H2,1-11H3
InChIKeyKWSUWIPYRSYABY-UHFFFAOYSA-N
XLogP6.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.83
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one?
The IUPAC name of 10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one (CID 146168484) is 10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one.
What is the SMILES notation for 10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one?
The canonical SMILES for 10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one is CC1(CO[Si](C)(C)C(C)(C)C)CCCC2(C=CC(=O)OC2)C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one?
The InChIKey is KWSUWIPYRSYABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O4Si2/c1-22(2,3)30(8,9)28-17-20-24(7,18-29-31(10,11)23(4,5)6)14-12-15-25(20)16-13-21(26)27-19-25/h13,16,20H,12,14-15,17-19H2,1-11H3.
What are the key properties of 10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one?
10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one has a molecular weight of 468.83 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-2-oxaspiro[5.5]undec-4-en-3-one is sourced from PubChem (CID 146168484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).