1,1-diphenylsilinan-4-one

C17H18OSi — CID 11129264

IUPAC1,1-diphenylsilinan-4-one
SMILESO=C1CC[Si](c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C17H18OSi/c18-15-11-13-19(14-12-15,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10H,11-14H2
InChIKeyNDPDLBYFUFUZQO-UHFFFAOYSA-N
MW266.42 g/mol
LogP2.61
Rot. Bonds2

About 1,1-diphenylsilinan-4-one

1,1-diphenylsilinan-4-one (PubChem CID 11129264) has the molecular formula C17H18OSi and a molecular weight of 266.42 g/mol. Its IUPAC name is 1,1-diphenylsilinan-4-one.

Molecular Properties

Compound Name1,1-diphenylsilinan-4-one
PubChem CID11129264
Molecular FormulaC17H18OSi
Molecular Weight266.42 g/mol
Exact Mass266.11
IUPAC Name1,1-diphenylsilinan-4-one
SMILESO=C1CC[Si](c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C17H18OSi/c18-15-11-13-19(14-12-15,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10H,11-14H2
InChIKeyNDPDLBYFUFUZQO-UHFFFAOYSA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylsilinan-4-one?
The IUPAC name of 1,1-diphenylsilinan-4-one (CID 11129264) is 1,1-diphenylsilinan-4-one.
What is the SMILES notation for 1,1-diphenylsilinan-4-one?
The canonical SMILES for 1,1-diphenylsilinan-4-one is O=C1CC[Si](c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of 1,1-diphenylsilinan-4-one?
The InChIKey is NDPDLBYFUFUZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OSi/c18-15-11-13-19(14-12-15,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10H,11-14H2.
What are the key properties of 1,1-diphenylsilinan-4-one?
1,1-diphenylsilinan-4-one has a molecular weight of 266.42 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylsilinan-4-one is sourced from PubChem (CID 11129264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).