2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one

C16H22OSi — CID 15316015

IUPAC2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one
SMILESC=C(CC1Cc2ccccc2C1=O)C[Si](C)(C)C
InChIInChI=1S/C16H22OSi/c1-12(11-18(2,3)4)9-14-10-13-7-5-6-8-15(13)16(14)17/h5-8,14H,1,9-11H2,2-4H3
InChIKeyWFWUVJCRLXDFHJ-UHFFFAOYSA-N
MW258.44 g/mol
LogP4.33
Rot. Bonds4

About 2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one

2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one (PubChem CID 15316015) has the molecular formula C16H22OSi and a molecular weight of 258.44 g/mol. Its IUPAC name is 2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one
PubChem CID15316015
Molecular FormulaC16H22OSi
Molecular Weight258.44 g/mol
Exact Mass258.14
IUPAC Name2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one
SMILESC=C(CC1Cc2ccccc2C1=O)C[Si](C)(C)C
InChIInChI=1S/C16H22OSi/c1-12(11-18(2,3)4)9-14-10-13-7-5-6-8-15(13)16(14)17/h5-8,14H,1,9-11H2,2-4H3
InChIKeyWFWUVJCRLXDFHJ-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-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 2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one (CID 15316015) is 2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one is C=C(CC1Cc2ccccc2C1=O)C[Si](C)(C)C.
What is the InChIKey of 2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one?
The InChIKey is WFWUVJCRLXDFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OSi/c1-12(11-18(2,3)4)9-14-10-13-7-5-6-8-15(13)16(14)17/h5-8,14H,1,9-11H2,2-4H3.
What are the key properties of 2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one?
2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one has a molecular weight of 258.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 15316015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).