trimethylsilyl 4-(2-methoxyphenyl)butanoate

C14H22O3Si — CID 584242

IUPACtrimethylsilyl 4-(2-methoxyphenyl)butanoate
SMILESCOc1ccccc1CCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H22O3Si/c1-16-13-10-6-5-8-12(13)9-7-11-14(15)17-18(2,3)4/h5-6,8,10H,7,9,11H2,1-4H3
InChIKeyYJSXKWFCXUBTQM-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.40
Rot. Bonds6

About trimethylsilyl 4-(2-methoxyphenyl)butanoate

trimethylsilyl 4-(2-methoxyphenyl)butanoate (PubChem CID 584242) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is trimethylsilyl 4-(2-methoxyphenyl)butanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-(2-methoxyphenyl)butanoate
PubChem CID584242
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Nametrimethylsilyl 4-(2-methoxyphenyl)butanoate
SMILESCOc1ccccc1CCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H22O3Si/c1-16-13-10-6-5-8-12(13)9-7-11-14(15)17-18(2,3)4/h5-6,8,10H,7,9,11H2,1-4H3
InChIKeyYJSXKWFCXUBTQM-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl 4-phenylbutanoate
CID 523833
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate
CID 553370
ethyl 5-(2-methoxyphenyl)pentanoate;5-(2-methoxyphenyl)pentanoic acid
CID 161019500
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
sodium 3-(2-methoxyphenyl)propanoate
CID 141006192
1-(5-bromopentyl)-2-methoxybenzene
CID 18786551
ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate
CID 101340154
methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate
CID 60714452
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-(2-methoxyphenyl)butanoate?
The IUPAC name of trimethylsilyl 4-(2-methoxyphenyl)butanoate (CID 584242) is trimethylsilyl 4-(2-methoxyphenyl)butanoate.
What is the SMILES notation for trimethylsilyl 4-(2-methoxyphenyl)butanoate?
The canonical SMILES for trimethylsilyl 4-(2-methoxyphenyl)butanoate is COc1ccccc1CCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-(2-methoxyphenyl)butanoate?
The InChIKey is YJSXKWFCXUBTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-16-13-10-6-5-8-12(13)9-7-11-14(15)17-18(2,3)4/h5-6,8,10H,7,9,11H2,1-4H3.
What are the key properties of trimethylsilyl 4-(2-methoxyphenyl)butanoate?
trimethylsilyl 4-(2-methoxyphenyl)butanoate has a molecular weight of 266.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-(2-methoxyphenyl)butanoate is sourced from PubChem (CID 584242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).