3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one

C16H30O2Si — CID 10684337

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one
SMILESCC1(C)C(=O)CCC=C1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-15(2,3)19(6,7)18-12-11-13-9-8-10-14(17)16(13,4)5/h9H,8,10-12H2,1-7H3
InChIKeyMZESVOCCSAJOHX-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.71
Rot. Bonds4

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one (PubChem CID 10684337) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one
PubChem CID10684337
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one
SMILESCC1(C)C(=O)CCC=C1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-15(2,3)19(6,7)18-12-11-13-9-8-10-14(17)16(13,4)5/h9H,8,10-12H2,1-7H3
InChIKeyMZESVOCCSAJOHX-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.71
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

CID 11022792
CID 11022792
CID 11313407
CID 11313407
CID 162786833
CID 162786833
CID 164683021
CID 164683021
CID 11014696
CID 11014696
CID 11335057
CID 11335057
CID 66857618
CID 66857618
CID 67370003
CID 67370003
CID 89580860
CID 89580860
CID 91518681
CID 91518681
CID 175832782
CID 175832782
CID 10566966
CID 10566966

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one (CID 10684337) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one is CC1(C)C(=O)CCC=C1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one?
The InChIKey is MZESVOCCSAJOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-15(2,3)19(6,7)18-12-11-13-9-8-10-14(17)16(13,4)5/h9H,8,10-12H2,1-7H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylcyclohex-3-en-1-one is sourced from PubChem (CID 10684337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).