(2-methylphenyl)-triethoxysilylmethanone

C14H22O4Si — CID 66851287

IUPAC(2-methylphenyl)-triethoxysilylmethanone
SMILESCCO[Si](OCC)(OCC)C(=O)c1ccccc1C
InChIInChI=1S/C14H22O4Si/c1-5-16-19(17-6-2,18-7-3)14(15)13-11-9-8-10-12(13)4/h8-11H,5-7H2,1-4H3
InChIKeyRZXLWTAAFRFVSA-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.77
Rot. Bonds8

About (2-methylphenyl)-triethoxysilylmethanone

(2-methylphenyl)-triethoxysilylmethanone (PubChem CID 66851287) has the molecular formula C14H22O4Si and a molecular weight of 282.41 g/mol. Its IUPAC name is (2-methylphenyl)-triethoxysilylmethanone.

Molecular Properties

Compound Name(2-methylphenyl)-triethoxysilylmethanone
PubChem CID66851287
Molecular FormulaC14H22O4Si
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name(2-methylphenyl)-triethoxysilylmethanone
SMILESCCO[Si](OCC)(OCC)C(=O)c1ccccc1C
InChIInChI=1S/C14H22O4Si/c1-5-16-19(17-6-2,18-7-3)14(15)13-11-9-8-10-12(13)4/h8-11H,5-7H2,1-4H3
InChIKeyRZXLWTAAFRFVSA-UHFFFAOYSA-N
XLogP2.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.77
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

sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
triethylsilyl 2-methylbenzoate
CID 102243806
ethyl 4-(2-methylphenyl)-4-oxobutanoate
CID 24727317
1-(2-methylphenyl)butane-1,2-dione
CID 69199618
O-ethyl 2-methylbenzenecarbothioate
CID 54521413
3-ethoxy-1-(2-methylphenyl)prop-2-en-1-one
CID 76951491
S-ethylsulfanyl 2-methylbenzenecarbothioate
CID 87154325
propyl 2-methylbenzoate
CID 23432654
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
ethyl 3-chloro-3-(2-methylphenyl)prop-2-enoate
CID 86586403
2-methylbenzamide;molecular hydrogen
CID 177161283
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-triethoxysilylmethanone?
The IUPAC name of (2-methylphenyl)-triethoxysilylmethanone (CID 66851287) is (2-methylphenyl)-triethoxysilylmethanone.
What is the SMILES notation for (2-methylphenyl)-triethoxysilylmethanone?
The canonical SMILES for (2-methylphenyl)-triethoxysilylmethanone is CCO[Si](OCC)(OCC)C(=O)c1ccccc1C.
What is the InChIKey of (2-methylphenyl)-triethoxysilylmethanone?
The InChIKey is RZXLWTAAFRFVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4Si/c1-5-16-19(17-6-2,18-7-3)14(15)13-11-9-8-10-12(13)4/h8-11H,5-7H2,1-4H3.
What are the key properties of (2-methylphenyl)-triethoxysilylmethanone?
(2-methylphenyl)-triethoxysilylmethanone has a molecular weight of 282.41 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-triethoxysilylmethanone is sourced from PubChem (CID 66851287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).