5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one

C20H36O2Si — CID 70433943

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
SMILESCC(C)C1C=CC(CO[Si](C)(C)C(C)(C)C)CC=CC(=O)CC1
InChIInChI=1S/C20H36O2Si/c1-16(2)18-12-11-17(9-8-10-19(21)14-13-18)15-22-23(6,7)20(3,4)5/h8,10-12,16-18H,9,13-15H2,1-7H3
InChIKeyKPIRVLCSJMNUDE-UHFFFAOYSA-N
MW336.59 g/mol
LogP5.76
Rot. Bonds4

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one (PubChem CID 70433943) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
PubChem CID70433943
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
SMILESCC(C)C1C=CC(CO[Si](C)(C)C(C)(C)C)CC=CC(=O)CC1
InChIInChI=1S/C20H36O2Si/c1-16(2)18-12-11-17(9-8-10-19(21)14-13-18)15-22-23(6,7)20(3,4)5/h8,10-12,16-18H,9,13-15H2,1-7H3
InChIKeyKPIRVLCSJMNUDE-UHFFFAOYSA-N
XLogP5.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one (CID 70433943) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one is CC(C)C1C=CC(CO[Si](C)(C)C(C)(C)C)CC=CC(=O)CC1.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The InChIKey is KPIRVLCSJMNUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-16(2)18-12-11-17(9-8-10-19(21)14-13-18)15-22-23(6,7)20(3,4)5/h8,10-12,16-18H,9,13-15H2,1-7H3.
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one has a molecular weight of 336.59 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one is sourced from PubChem (CID 70433943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).