2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one

C10H18O2Si — CID 12822760

IUPAC2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one
SMILESCC1=C(O[Si](C)(C)C)CCCC1=O
InChIInChI=1S/C10H18O2Si/c1-8-9(11)6-5-7-10(8)12-13(2,3)4/h5-7H2,1-4H3
InChIKeyIFWOXYMKWGZSQC-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.86
Rot. Bonds2

About 2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one

2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one (PubChem CID 12822760) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is 2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one
PubChem CID12822760
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one
SMILESCC1=C(O[Si](C)(C)C)CCCC1=O
InChIInChI=1S/C10H18O2Si/c1-8-9(11)6-5-7-10(8)12-13(2,3)4/h5-7H2,1-4H3
InChIKeyIFWOXYMKWGZSQC-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.86
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 2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one?
The IUPAC name of 2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one (CID 12822760) is 2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one.
What is the SMILES notation for 2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one?
The canonical SMILES for 2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one is CC1=C(O[Si](C)(C)C)CCCC1=O.
What is the InChIKey of 2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one?
The InChIKey is IFWOXYMKWGZSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-8-9(11)6-5-7-10(8)12-13(2,3)4/h5-7H2,1-4H3.
What are the key properties of 2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one?
2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one has a molecular weight of 198.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-trimethylsilyloxycyclohex-2-en-1-one is sourced from PubChem (CID 12822760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).