ethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate

C19H20O4Si — CID 154160855

IUPACethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate
SMILESCCOC(=O)C=Cc1cc2ccc(C#C[Si](C)(C)C)cc2oc1=O
InChIInChI=1S/C19H20O4Si/c1-5-22-18(20)9-8-16-13-15-7-6-14(10-11-24(2,3)4)12-17(15)23-19(16)21/h6-9,12-13H,5H2,1-4H3
InChIKeyCNGMUGUXKMCAAL-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.60
Rot. Bonds3

About ethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate

ethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate (PubChem CID 154160855) has the molecular formula C19H20O4Si and a molecular weight of 340.45 g/mol. Its IUPAC name is ethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate
PubChem CID154160855
Molecular FormulaC19H20O4Si
Molecular Weight340.45 g/mol
Exact Mass340.11
IUPAC Nameethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate
SMILESCCOC(=O)C=Cc1cc2ccc(C#C[Si](C)(C)C)cc2oc1=O
InChIInChI=1S/C19H20O4Si/c1-5-22-18(20)9-8-16-13-15-7-6-14(10-11-24(2,3)4)12-17(15)23-19(16)21/h6-9,12-13H,5H2,1-4H3
InChIKeyCNGMUGUXKMCAAL-UHFFFAOYSA-N
XLogP3.60
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoic acid
CID 154061609
methyl 3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-oxochromene-7-carboxylate
CID 134912242
ethyl (E)-3-(5,6,7-trimethyl-2-oxochromen-3-yl)prop-2-enoate
CID 66560052
ethyl 3-(4-cyano-2-methoxyphenyl)prop-2-enoate
CID 169481283
ethyl (E)-3-(2,6-dimethyl-3-pyridinyl)prop-2-enoate
CID 164663019
ethyl 3-(2-amino-5-cyanophenyl)prop-2-enoate
CID 169480310
ethyl (E)-3-(7-chloro-6-hydroxy-5-methoxy-2-oxochromen-3-yl)prop-2-enoate
CID 134911726
3-[7-(diethylamino)-2-oxochromen-3-yl]prop-2-enoic acid
CID 171475352
ethyl (E)-3-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)prop-2-enoate
CID 66736934
ethyl (E)-3-(2-bromo-4-hydroxyphenyl)prop-2-enoate
CID 118198345
ethyl 5-[4-(5-ethoxy-5-oxopent-3-en-1-ynyl)phenyl]pent-2-en-4-ynoate
CID 76556505
ethyl (E)-3-(6-bromo-2-fluoro-3-pyridinyl)prop-2-enoate
CID 142420383

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate?
The IUPAC name of ethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate (CID 154160855) is ethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate?
The canonical SMILES for ethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate is CCOC(=O)C=Cc1cc2ccc(C#C[Si](C)(C)C)cc2oc1=O.
What is the InChIKey of ethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate?
The InChIKey is CNGMUGUXKMCAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4Si/c1-5-22-18(20)9-8-16-13-15-7-6-14(10-11-24(2,3)4)12-17(15)23-19(16)21/h6-9,12-13H,5H2,1-4H3.
What are the key properties of ethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate?
ethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate has a molecular weight of 340.45 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-oxo-7-(2-trimethylsilylethynyl)chromen-3-yl]prop-2-enoate is sourced from PubChem (CID 154160855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).