3-trimethylsilylhept-3-ene-2,5-dione

C10H18O2Si — CID 71320568

IUPAC3-trimethylsilylhept-3-ene-2,5-dione
SMILESCCC(=O)C=C(C(C)=O)[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-6-9(12)7-10(8(2)11)13(3,4)5/h7H,6H2,1-5H3
InChIKeyXNJSXNTZANWHRW-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.36
Rot. Bonds4

About 3-trimethylsilylhept-3-ene-2,5-dione

3-trimethylsilylhept-3-ene-2,5-dione (PubChem CID 71320568) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is 3-trimethylsilylhept-3-ene-2,5-dione.

Molecular Properties

Compound Name3-trimethylsilylhept-3-ene-2,5-dione
PubChem CID71320568
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name3-trimethylsilylhept-3-ene-2,5-dione
SMILESCCC(=O)C=C(C(C)=O)[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-6-9(12)7-10(8(2)11)13(3,4)5/h7H,6H2,1-5H3
InChIKeyXNJSXNTZANWHRW-UHFFFAOYSA-N
XLogP2.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-trimethylsilylhept-3-ene-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylhept-3-ene-2,5-dione?
The IUPAC name of 3-trimethylsilylhept-3-ene-2,5-dione (CID 71320568) is 3-trimethylsilylhept-3-ene-2,5-dione.
What is the SMILES notation for 3-trimethylsilylhept-3-ene-2,5-dione?
The canonical SMILES for 3-trimethylsilylhept-3-ene-2,5-dione is CCC(=O)C=C(C(C)=O)[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylhept-3-ene-2,5-dione?
The InChIKey is XNJSXNTZANWHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-6-9(12)7-10(8(2)11)13(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 3-trimethylsilylhept-3-ene-2,5-dione?
3-trimethylsilylhept-3-ene-2,5-dione has a molecular weight of 198.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylhept-3-ene-2,5-dione is sourced from PubChem (CID 71320568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).