3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate

C15H24O5Si — CID 140788680

IUPAC3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate
SMILESCO[Si](CCCOC(=O)Cc1ccccc1C)(OC)OC
InChIInChI=1S/C15H24O5Si/c1-13-8-5-6-9-14(13)12-15(16)20-10-7-11-21(17-2,18-3)19-4/h5-6,8-9H,7,10-12H2,1-4H3
InChIKeyULRYRSBXHCZSOH-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.35
Rot. Bonds9

About 3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate

3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate (PubChem CID 140788680) has the molecular formula C15H24O5Si and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate
PubChem CID140788680
Molecular FormulaC15H24O5Si
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate
SMILESCO[Si](CCCOC(=O)Cc1ccccc1C)(OC)OC
InChIInChI=1S/C15H24O5Si/c1-13-8-5-6-9-14(13)12-15(16)20-10-7-11-21(17-2,18-3)19-4/h5-6,8-9H,7,10-12H2,1-4H3
InChIKeyULRYRSBXHCZSOH-UHFFFAOYSA-N
XLogP2.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
7-methyloctyl 2-(2-methylphenyl)acetate
CID 140794921
2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate
CID 78831089
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
pent-3-ynyl 2-(2-methylphenyl)acetate
CID 75453317
3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate
CID 103403216
[2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate
CID 57251946
3-(2-methylphenyl)propyl hydrogen carbonate
CID 150352132
3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate
CID 58005998
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate
CID 174951239
4-(2-methylphenyl)butyl acetate
CID 145430143

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate?
The IUPAC name of 3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate (CID 140788680) is 3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate.
What is the SMILES notation for 3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate?
The canonical SMILES for 3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate is CO[Si](CCCOC(=O)Cc1ccccc1C)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate?
The InChIKey is ULRYRSBXHCZSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5Si/c1-13-8-5-6-9-14(13)12-15(16)20-10-7-11-21(17-2,18-3)19-4/h5-6,8-9H,7,10-12H2,1-4H3.
What are the key properties of 3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate?
3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate has a molecular weight of 312.44 g/mol, XLogP of 2.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate is sourced from PubChem (CID 140788680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).