2,6-dimethyl-6-trimethylsilylhept-2-en-4-one

C12H24OSi — CID 11085133

IUPAC2,6-dimethyl-6-trimethylsilylhept-2-en-4-one
SMILESCC(C)=CC(=O)CC(C)(C)[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-10(2)8-11(13)9-12(3,4)14(5,6)7/h8H,9H2,1-7H3
InChIKeyHYBYVVFNRYDAGE-UHFFFAOYSA-N
MW212.41 g/mol
LogP4.03
Rot. Bonds4

About 2,6-dimethyl-6-trimethylsilylhept-2-en-4-one

2,6-dimethyl-6-trimethylsilylhept-2-en-4-one (PubChem CID 11085133) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 2,6-dimethyl-6-trimethylsilylhept-2-en-4-one.

Molecular Properties

Compound Name2,6-dimethyl-6-trimethylsilylhept-2-en-4-one
PubChem CID11085133
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name2,6-dimethyl-6-trimethylsilylhept-2-en-4-one
SMILESCC(C)=CC(=O)CC(C)(C)[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-10(2)8-11(13)9-12(3,4)14(5,6)7/h8H,9H2,1-7H3
InChIKeyHYBYVVFNRYDAGE-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-6-trimethylsilylhept-2-en-4-one?
The IUPAC name of 2,6-dimethyl-6-trimethylsilylhept-2-en-4-one (CID 11085133) is 2,6-dimethyl-6-trimethylsilylhept-2-en-4-one.
What is the SMILES notation for 2,6-dimethyl-6-trimethylsilylhept-2-en-4-one?
The canonical SMILES for 2,6-dimethyl-6-trimethylsilylhept-2-en-4-one is CC(C)=CC(=O)CC(C)(C)[Si](C)(C)C.
What is the InChIKey of 2,6-dimethyl-6-trimethylsilylhept-2-en-4-one?
The InChIKey is HYBYVVFNRYDAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-10(2)8-11(13)9-12(3,4)14(5,6)7/h8H,9H2,1-7H3.
What are the key properties of 2,6-dimethyl-6-trimethylsilylhept-2-en-4-one?
2,6-dimethyl-6-trimethylsilylhept-2-en-4-one has a molecular weight of 212.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6-trimethylsilylhept-2-en-4-one is sourced from PubChem (CID 11085133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).