6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one

C14H16O2Si — CID 14614717

IUPAC6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)CCC(=O)O2
InChIInChI=1S/C14H16O2Si/c1-17(2,3)9-8-11-4-6-13-12(10-11)5-7-14(15)16-13/h4,6,10H,5,7H2,1-3H3
InChIKeyVCDYYYURUKKCNH-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.77
Rot. Bonds

About 6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one

6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one (PubChem CID 14614717) has the molecular formula C14H16O2Si and a molecular weight of 244.37 g/mol. Its IUPAC name is 6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one
PubChem CID14614717
Molecular FormulaC14H16O2Si
Molecular Weight244.37 g/mol
Exact Mass244.09
IUPAC Name6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)CCC(=O)O2
InChIInChI=1S/C14H16O2Si/c1-17(2,3)9-8-11-4-6-13-12(10-11)5-7-14(15)16-13/h4,6,10H,5,7H2,1-3H3
InChIKeyVCDYYYURUKKCNH-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one?
The IUPAC name of 6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one (CID 14614717) is 6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one is C[Si](C)(C)C#Cc1ccc2c(c1)CCC(=O)O2.
What is the InChIKey of 6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one?
The InChIKey is VCDYYYURUKKCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2Si/c1-17(2,3)9-8-11-4-6-13-12(10-11)5-7-14(15)16-13/h4,6,10H,5,7H2,1-3H3.
What are the key properties of 6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one?
6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one has a molecular weight of 244.37 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 14614717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).