6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one

C18H26O4Si — CID 139044687

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one
SMILESCOC12C=CC3(C=C1)COC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C18H26O4Si/c1-16(2,3)23(5,6)22-13-11-18(20-4)9-7-17(8-10-18)12-21-15(19)14(13)17/h7-10H,11-12H2,1-6H3
InChIKeyJUQWNCZXCPUCHG-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.72
Rot. Bonds3

About 6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one

6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one (PubChem CID 139044687) has the molecular formula C18H26O4Si and a molecular weight of 334.49 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one
PubChem CID139044687
Molecular FormulaC18H26O4Si
Molecular Weight334.49 g/mol
Exact Mass334.16
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one
SMILESCOC12C=CC3(C=C1)COC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C18H26O4Si/c1-16(2,3)23(5,6)22-13-11-18(20-4)9-7-17(8-10-18)12-21-15(19)14(13)17/h7-10H,11-12H2,1-6H3
InChIKeyJUQWNCZXCPUCHG-UHFFFAOYSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3aR,6R)-6-methyl-8-tri(propan-2-yl)silyloxy-3,3a,6,7-tetrahydrocyclohepta[c]furan-1-one
CID 134971392
6-[Tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one
CID 139044686

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one (CID 139044687) is 6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one is COC12C=CC3(C=C1)COC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one?
The InChIKey is JUQWNCZXCPUCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4Si/c1-16(2,3)23(5,6)22-13-11-18(20-4)9-7-17(8-10-18)12-21-15(19)14(13)17/h7-10H,11-12H2,1-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one?
6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one has a molecular weight of 334.49 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3-oxatricyclo[6.2.2.01,5]dodeca-5,9,11-trien-4-one is sourced from PubChem (CID 139044687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).