ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate

C14H22O3Si — CID 151002957

IUPACethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate
SMILESCCOC(=O)CC(OC)c1ccc([SiH](C)C)cc1
InChIInChI=1S/C14H22O3Si/c1-5-17-14(15)10-13(16-2)11-6-8-12(9-7-11)18(3)4/h6-9,13,18H,5,10H2,1-4H3
InChIKeyLUMQVMIRBNZXIS-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.02
Rot. Bonds6

About ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate

ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate (PubChem CID 151002957) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate.

Molecular Properties

Compound Nameethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate
PubChem CID151002957
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Nameethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate
SMILESCCOC(=O)CC(OC)c1ccc([SiH](C)C)cc1
InChIInChI=1S/C14H22O3Si/c1-5-17-14(15)10-13(16-2)11-6-8-12(9-7-11)18(3)4/h6-9,13,18H,5,10H2,1-4H3
InChIKeyLUMQVMIRBNZXIS-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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

ethyl (3S)-3-(4-hydroxyphenyl)-3-methoxypropanoate
CID 129379354
ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate
CID 143560170
[(1S)-3-ethoxy-1-(4-fluorophenyl)-3-oxopropyl] butanoate
CID 11437511
ethyl (3R)-3-ethoxy-3-(4-nitrophenyl)propanoate
CID 129379762
[(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium
CID 7022712
[(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium
CID 7015544
ethyl (Z)-5-(4-bromophenyl)-3,5-dimethoxypent-2-enoate
CID 102109372
4-(1-methoxypropyl)benzoic acid
CID 69343371
3-methoxy-3-phenylpropanoic acid
CID 13379217
ethyl 3-amino-3-(4-aminophenyl)propanoate
CID 90765917
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
[(1R)-3-ethoxy-3-oxo-1-phenylpropyl] hexanoate
CID 139755123

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate?
The IUPAC name of ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate (CID 151002957) is ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate.
What is the SMILES notation for ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate?
The canonical SMILES for ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate is CCOC(=O)CC(OC)c1ccc([SiH](C)C)cc1.
What is the InChIKey of ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate?
The InChIKey is LUMQVMIRBNZXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-5-17-14(15)10-13(16-2)11-6-8-12(9-7-11)18(3)4/h6-9,13,18H,5,10H2,1-4H3.
What are the key properties of ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate?
ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate has a molecular weight of 266.41 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate is sourced from PubChem (CID 151002957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).