3-trimethylsilylchromen-2-one

C12H14O2Si — CID 71378789

IUPAC3-trimethylsilylchromen-2-one
SMILESC[Si](C)(C)c1cc2ccccc2oc1=O
InChIInChI=1S/C12H14O2Si/c1-15(2,3)11-8-9-6-4-5-7-10(9)14-12(11)13/h4-8H,1-3H3
InChIKeyZYFIOVLJDHYROK-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.34
Rot. Bonds1

About 3-trimethylsilylchromen-2-one

3-trimethylsilylchromen-2-one (PubChem CID 71378789) has the molecular formula C12H14O2Si and a molecular weight of 218.33 g/mol. Its IUPAC name is 3-trimethylsilylchromen-2-one.

Molecular Properties

Compound Name3-trimethylsilylchromen-2-one
PubChem CID71378789
Molecular FormulaC12H14O2Si
Molecular Weight218.33 g/mol
Exact Mass218.08
IUPAC Name3-trimethylsilylchromen-2-one
SMILESC[Si](C)(C)c1cc2ccccc2oc1=O
InChIInChI=1S/C12H14O2Si/c1-15(2,3)11-8-9-6-4-5-7-10(9)14-12(11)13/h4-8H,1-3H3
InChIKeyZYFIOVLJDHYROK-UHFFFAOYSA-N
XLogP2.34
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylchromen-2-one?
The IUPAC name of 3-trimethylsilylchromen-2-one (CID 71378789) is 3-trimethylsilylchromen-2-one.
What is the SMILES notation for 3-trimethylsilylchromen-2-one?
The canonical SMILES for 3-trimethylsilylchromen-2-one is C[Si](C)(C)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-trimethylsilylchromen-2-one?
The InChIKey is ZYFIOVLJDHYROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2Si/c1-15(2,3)11-8-9-6-4-5-7-10(9)14-12(11)13/h4-8H,1-3H3.
What are the key properties of 3-trimethylsilylchromen-2-one?
3-trimethylsilylchromen-2-one has a molecular weight of 218.33 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylchromen-2-one is sourced from PubChem (CID 71378789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).