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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Related Compounds

(4S,5E)-5-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-enylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 138963805
(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 138976506
(2S,3E,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydeca-3,9-dien-5-one
CID 12164694
(2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 13073165
(Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one
CID 134833523
(4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one
CID 135016080
(4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-one
CID 10590061
(6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one
CID 10979836
(2Z,6Z)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 20164362
(2Z,6Z)-8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one
CID 20164372
8-Propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one
CID 57305973
(E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione
CID 59412218

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).