4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one

C19H38O3Si2 — CID 101044258

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)CCC1=O
InChIInChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-14-15-13-16(11-12-17(15)20)22-24(9,10)19(4,5)6/h13,16H,11-12,14H2,1-10H3
InChIKeyYRBMRHIDEQVIGV-UHFFFAOYSA-N
MW370.68 g/mol
LogP5.69
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one (PubChem CID 101044258) has the molecular formula C19H38O3Si2 and a molecular weight of 370.68 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
PubChem CID101044258
Molecular FormulaC19H38O3Si2
Molecular Weight370.68 g/mol
Exact Mass370.24
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)CCC1=O
InChIInChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-14-15-13-16(11-12-17(15)20)22-24(9,10)19(4,5)6/h13,16H,11-12,14H2,1-10H3
InChIKeyYRBMRHIDEQVIGV-UHFFFAOYSA-N
XLogP5.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.68
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one (CID 101044258) is 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)CCC1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The InChIKey is YRBMRHIDEQVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-14-15-13-16(11-12-17(15)20)22-24(9,10)19(4,5)6/h13,16H,11-12,14H2,1-10H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one has a molecular weight of 370.68 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one is sourced from PubChem (CID 101044258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).