4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one

C15H28O2Si — CID 69212138

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one
SMILESC=CC1CC(=O)CCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-12-10-14(16)9-8-13(12)11-17-18(5,6)15(2,3)4/h7,12-13H,1,8-11H2,2-6H3
InChIKeyIOTJGZRLCPSODP-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.18
Rot. Bonds4

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one (PubChem CID 69212138) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one
PubChem CID69212138
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one
SMILESC=CC1CC(=O)CCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-12-10-14(16)9-8-13(12)11-17-18(5,6)15(2,3)4/h7,12-13H,1,8-11H2,2-6H3
InChIKeyIOTJGZRLCPSODP-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.18
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 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one (CID 69212138) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one is C=CC1CC(=O)CCC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one?
The InChIKey is IOTJGZRLCPSODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-7-12-10-14(16)9-8-13(12)11-17-18(5,6)15(2,3)4/h7,12-13H,1,8-11H2,2-6H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one is sourced from PubChem (CID 69212138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).