4-methylidene-3-trimethylsilylcyclohex-2-en-1-one

C10H16OSi — CID 102280034

IUPAC4-methylidene-3-trimethylsilylcyclohex-2-en-1-one
SMILESC=C1CCC(=O)C=C1[Si](C)(C)C
InChIInChI=1S/C10H16OSi/c1-8-5-6-9(11)7-10(8)12(2,3)4/h7H,1,5-6H2,2-4H3
InChIKeyOSSMYWFHOMGKLG-UHFFFAOYSA-N
MW180.32 g/mol
LogP2.71
Rot. Bonds1

About 4-methylidene-3-trimethylsilylcyclohex-2-en-1-one

4-methylidene-3-trimethylsilylcyclohex-2-en-1-one (PubChem CID 102280034) has the molecular formula C10H16OSi and a molecular weight of 180.32 g/mol. Its IUPAC name is 4-methylidene-3-trimethylsilylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-methylidene-3-trimethylsilylcyclohex-2-en-1-one
PubChem CID102280034
Molecular FormulaC10H16OSi
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name4-methylidene-3-trimethylsilylcyclohex-2-en-1-one
SMILESC=C1CCC(=O)C=C1[Si](C)(C)C
InChIInChI=1S/C10H16OSi/c1-8-5-6-9(11)7-10(8)12(2,3)4/h7H,1,5-6H2,2-4H3
InChIKeyOSSMYWFHOMGKLG-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylidene-3-trimethylsilylcyclohex-2-en-1-one?
The IUPAC name of 4-methylidene-3-trimethylsilylcyclohex-2-en-1-one (CID 102280034) is 4-methylidene-3-trimethylsilylcyclohex-2-en-1-one.
What is the SMILES notation for 4-methylidene-3-trimethylsilylcyclohex-2-en-1-one?
The canonical SMILES for 4-methylidene-3-trimethylsilylcyclohex-2-en-1-one is C=C1CCC(=O)C=C1[Si](C)(C)C.
What is the InChIKey of 4-methylidene-3-trimethylsilylcyclohex-2-en-1-one?
The InChIKey is OSSMYWFHOMGKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OSi/c1-8-5-6-9(11)7-10(8)12(2,3)4/h7H,1,5-6H2,2-4H3.
What are the key properties of 4-methylidene-3-trimethylsilylcyclohex-2-en-1-one?
4-methylidene-3-trimethylsilylcyclohex-2-en-1-one has a molecular weight of 180.32 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-trimethylsilylcyclohex-2-en-1-one is sourced from PubChem (CID 102280034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).