methyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate

C16H22O3Si — CID 176907474

IUPACmethyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate
SMILESC#CC(Oc1ccc(CCC(=O)OC)cc1)[Si](C)(C)C
InChIInChI=1S/C16H22O3Si/c1-6-16(20(3,4)5)19-14-10-7-13(8-11-14)9-12-15(17)18-2/h1,7-8,10-11,16H,9,12H2,2-5H3
InChIKeyRNDWHMQDNIZVCP-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.05
Rot. Bonds6

About methyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate

methyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate (PubChem CID 176907474) has the molecular formula C16H22O3Si and a molecular weight of 290.44 g/mol. Its IUPAC name is methyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate
PubChem CID176907474
Molecular FormulaC16H22O3Si
Molecular Weight290.44 g/mol
Exact Mass290.13
IUPAC Namemethyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate
SMILESC#CC(Oc1ccc(CCC(=O)OC)cc1)[Si](C)(C)C
InChIInChI=1S/C16H22O3Si/c1-6-16(20(3,4)5)19-14-10-7-13(8-11-14)9-12-15(17)18-2/h1,7-8,10-11,16H,9,12H2,2-5H3
InChIKeyRNDWHMQDNIZVCP-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-(4-but-2-enoxyphenyl)propanoate
CID 71395339
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580
methyl 3-[4-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]propanoate
CID 117095120
methyl 3-[4-(2-chloroethoxy)phenyl]propanoate
CID 67053705
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
CID 10635677
methyl 3-[4-(2,2,2-trifluoroacetyl)oxyphenyl]propanoate
CID 91749157
methyl 3-(4-formylphenyl)propanoate
CID 11063253
methyl 3-[4-[4-[2-[4-[4-(3-methoxy-3-oxopropyl)-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]ethyl]-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate
CID 71277676

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate?
The IUPAC name of methyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate (CID 176907474) is methyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate?
The canonical SMILES for methyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate is C#CC(Oc1ccc(CCC(=O)OC)cc1)[Si](C)(C)C.
What is the InChIKey of methyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate?
The InChIKey is RNDWHMQDNIZVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3Si/c1-6-16(20(3,4)5)19-14-10-7-13(8-11-14)9-12-15(17)18-2/h1,7-8,10-11,16H,9,12H2,2-5H3.
What are the key properties of methyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate?
methyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate has a molecular weight of 290.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(1-trimethylsilylprop-2-ynoxy)phenyl]propanoate is sourced from PubChem (CID 176907474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).