(1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one

C15H22O4Si — CID 11087696

IUPAC(1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one
SMILESCC(C)(C)[Si](C)(C)OC1=C2C(=O)OCC3=C[C@@H](C1)O[C@H]32
InChIInChI=1S/C15H22O4Si/c1-15(2,3)20(4,5)19-11-7-10-6-9-8-17-14(16)12(11)13(9)18-10/h6,10,13H,7-8H2,1-5H3/t10-,13+/m0/s1
InChIKeyXOGDRSZUJZHLHH-GXFFZTMASA-N
MW294.42 g/mol
LogP2.92
Rot. Bonds2

About (1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one

(1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one (PubChem CID 11087696) has the molecular formula C15H22O4Si and a molecular weight of 294.42 g/mol. Its IUPAC name is (1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one.

Molecular Properties

Compound Name(1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one
PubChem CID11087696
Molecular FormulaC15H22O4Si
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name(1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one
SMILESCC(C)(C)[Si](C)(C)OC1=C2C(=O)OCC3=C[C@@H](C1)O[C@H]32
InChIInChI=1S/C15H22O4Si/c1-15(2,3)20(4,5)19-11-7-10-6-9-8-17-14(16)12(11)13(9)18-10/h6,10,13H,7-8H2,1-5H3/t10-,13+/m0/s1
InChIKeyXOGDRSZUJZHLHH-GXFFZTMASA-N
XLogP2.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of (1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one?
The IUPAC name of (1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one (CID 11087696) is (1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one.
What is the SMILES notation for (1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one?
The canonical SMILES for (1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one is CC(C)(C)[Si](C)(C)OC1=C2C(=O)OCC3=C[C@@H](C1)O[C@H]32.
What is the InChIKey of (1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one?
The InChIKey is XOGDRSZUJZHLHH-GXFFZTMASA-N. The full InChI is InChI=1S/C15H22O4Si/c1-15(2,3)20(4,5)19-11-7-10-6-9-8-17-14(16)12(11)13(9)18-10/h6,10,13H,7-8H2,1-5H3/t10-,13+/m0/s1.
What are the key properties of (1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one?
(1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one has a molecular weight of 294.42 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-6,10-dioxatricyclo[6.2.1.04,9]undeca-3,8(11)-dien-5-one is sourced from PubChem (CID 11087696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).