3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one

C11H16OSi — CID 86174744

IUPAC3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one
SMILESC[Si](C)(C)C1=C2CCC=C2CC1=O
InChIInChI=1S/C11H16OSi/c1-13(2,3)11-9-6-4-5-8(9)7-10(11)12/h5H,4,6-7H2,1-3H3
InChIKeyIPEHLLONDVMMAU-UHFFFAOYSA-N
MW192.33 g/mol
LogP2.85
Rot. Bonds1

About 3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one

3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one (PubChem CID 86174744) has the molecular formula C11H16OSi and a molecular weight of 192.33 g/mol. Its IUPAC name is 3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one.

Molecular Properties

Compound Name3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one
PubChem CID86174744
Molecular FormulaC11H16OSi
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one
SMILESC[Si](C)(C)C1=C2CCC=C2CC1=O
InChIInChI=1S/C11H16OSi/c1-13(2,3)11-9-6-4-5-8(9)7-10(11)12/h5H,4,6-7H2,1-3H3
InChIKeyIPEHLLONDVMMAU-UHFFFAOYSA-N
XLogP2.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one 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-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one?
The IUPAC name of 3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one (CID 86174744) is 3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one.
What is the SMILES notation for 3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one?
The canonical SMILES for 3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one is C[Si](C)(C)C1=C2CCC=C2CC1=O.
What is the InChIKey of 3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one?
The InChIKey is IPEHLLONDVMMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OSi/c1-13(2,3)11-9-6-4-5-8(9)7-10(11)12/h5H,4,6-7H2,1-3H3.
What are the key properties of 3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one?
3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one has a molecular weight of 192.33 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one is sourced from PubChem (CID 86174744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).