5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one

C11H20O2Si — CID 12822761

IUPAC5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(O[Si](C)(C)C)C1
InChIInChI=1S/C11H20O2Si/c1-11(2)7-9(12)6-10(8-11)13-14(3,4)5/h6H,7-8H2,1-5H3
InChIKeyOUCMGYMFRZOGBG-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.11
Rot. Bonds2

About 5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one

5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one (PubChem CID 12822761) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one
PubChem CID12822761
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(O[Si](C)(C)C)C1
InChIInChI=1S/C11H20O2Si/c1-11(2)7-9(12)6-10(8-11)13-14(3,4)5/h6H,7-8H2,1-5H3
InChIKeyOUCMGYMFRZOGBG-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one (CID 12822761) is 5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one is CC1(C)CC(=O)C=C(O[Si](C)(C)C)C1.
What is the InChIKey of 5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one?
The InChIKey is OUCMGYMFRZOGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-11(2)7-9(12)6-10(8-11)13-14(3,4)5/h6H,7-8H2,1-5H3.
What are the key properties of 5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one?
5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one has a molecular weight of 212.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-trimethylsilyloxycyclohex-2-en-1-one is sourced from PubChem (CID 12822761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).