phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone

C22H30O4Si — CID 141118396

IUPACphenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone
SMILESCCO[Si](CCCc1ccccc1C(=O)c1ccccc1)(OCC)OCC
InChIInChI=1S/C22H30O4Si/c1-4-24-27(25-5-2,26-6-3)18-12-16-19-13-10-11-17-21(19)22(23)20-14-8-7-9-15-20/h7-11,13-15,17H,4-6,12,16,18H2,1-3H3
InChIKeyRCSNQFZIWROWAZ-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.90
Rot. Bonds12

About phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone

phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone (PubChem CID 141118396) has the molecular formula C22H30O4Si and a molecular weight of 386.56 g/mol. Its IUPAC name is phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone
PubChem CID141118396
Molecular FormulaC22H30O4Si
Molecular Weight386.56 g/mol
Exact Mass386.19
IUPAC Namephenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone
SMILESCCO[Si](CCCc1ccccc1C(=O)c1ccccc1)(OCC)OCC
InChIInChI=1S/C22H30O4Si/c1-4-24-27(25-5-2,26-6-3)18-12-16-19-13-10-11-17-21(19)22(23)20-14-8-7-9-15-20/h7-11,13-15,17H,4-6,12,16,18H2,1-3H3
InChIKeyRCSNQFZIWROWAZ-UHFFFAOYSA-N
XLogP4.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl-(2-tridecylphenyl)methanone
CID 159151783
[2-(3-hydroxypropyl)phenyl]-phenylmethanone
CID 66892901
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
[2-(10-chlorodecyl)phenyl]-phenylmethanone
CID 157301070
(2-hexylphenyl)-(4-phenylphenyl)methanone
CID 151469512
(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
CID 91614049
3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
CID 159477201
2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane
CID 19070360
2-(3-triethoxysilylpropylsulfanylcarbonyl)benzoic acid
CID 87960766
1-butoxybutane;[2-(hydroxymethyl)phenyl]-phenylmethanone
CID 174672738
2,3-bis(3-triethoxysilylpropyl)aniline
CID 69038548
2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid
CID 174032259

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone?
The IUPAC name of phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone (CID 141118396) is phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone.
What is the SMILES notation for phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone?
The canonical SMILES for phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone is CCO[Si](CCCc1ccccc1C(=O)c1ccccc1)(OCC)OCC.
What is the InChIKey of phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone?
The InChIKey is RCSNQFZIWROWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O4Si/c1-4-24-27(25-5-2,26-6-3)18-12-16-19-13-10-11-17-21(19)22(23)20-14-8-7-9-15-20/h7-11,13-15,17H,4-6,12,16,18H2,1-3H3.
What are the key properties of phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone?
phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone has a molecular weight of 386.56 g/mol, XLogP of 4.90, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone is sourced from PubChem (CID 141118396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).