(1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane

C18H28OSi2 — CID 132596567

IUPAC(1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane
SMILESCC12C=CC(C)(O1)c1cc([Si](C)(C)C)c([Si](C)(C)C)cc12
InChIInChI=1S/C18H28OSi2/c1-17-9-10-18(2,19-17)14-12-16(21(6,7)8)15(11-13(14)17)20(3,4)5/h9-12H,1-8H3
InChIKeyKPLUIRUXPBWMJS-UHFFFAOYSA-N
MW316.59 g/mol
LogP3.81
Rot. Bonds2

About (1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane

(1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane (PubChem CID 132596567) has the molecular formula C18H28OSi2 and a molecular weight of 316.59 g/mol. Its IUPAC name is (1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane.

Molecular Properties

Compound Name(1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane
PubChem CID132596567
Molecular FormulaC18H28OSi2
Molecular Weight316.59 g/mol
Exact Mass316.17
IUPAC Name(1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane
SMILESCC12C=CC(C)(O1)c1cc([Si](C)(C)C)c([Si](C)(C)C)cc12
InChIInChI=1S/C18H28OSi2/c1-17-9-10-18(2,19-17)14-12-16(21(6,7)8)15(11-13(14)17)20(3,4)5/h9-12H,1-8H3
InChIKeyKPLUIRUXPBWMJS-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane?
The IUPAC name of (1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane (CID 132596567) is (1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane.
What is the SMILES notation for (1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane?
The canonical SMILES for (1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane is CC12C=CC(C)(O1)c1cc([Si](C)(C)C)c([Si](C)(C)C)cc12.
What is the InChIKey of (1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane?
The InChIKey is KPLUIRUXPBWMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28OSi2/c1-17-9-10-18(2,19-17)14-12-16(21(6,7)8)15(11-13(14)17)20(3,4)5/h9-12H,1-8H3.
What are the key properties of (1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane?
(1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane has a molecular weight of 316.59 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,8-dimethyl-5-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-4-yl)-trimethylsilane is sourced from PubChem (CID 132596567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).