ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate

C23H36N2O5Si — CID 10182296

IUPACethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/C1=C[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C23H36N2O5Si/c1-8-29-21(27)10-9-17-13-19(25-12-11-20(26)24-22(25)28)14-18(17)15-30-31(6,7)23(4,5)16(2)3/h9-13,16,18-19H,8,14-15H2,1-7H3,(H,24,26,28)/b10-9+/t18-,19+/m1/s1
InChIKeyAQDZUPNJEVKLLA-COQIJWMOSA-N
MW448.64 g/mol
LogP3.80
Rot. Bonds9

About ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate

ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate (PubChem CID 10182296) has the molecular formula C23H36N2O5Si and a molecular weight of 448.64 g/mol. Its IUPAC name is ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate
PubChem CID10182296
Molecular FormulaC23H36N2O5Si
Molecular Weight448.64 g/mol
Exact Mass448.24
IUPAC Nameethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/C1=C[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C23H36N2O5Si/c1-8-29-21(27)10-9-17-13-19(25-12-11-20(26)24-22(25)28)14-18(17)15-30-31(6,7)23(4,5)16(2)3/h9-13,16,18-19H,8,14-15H2,1-7H3,(H,24,26,28)/b10-9+/t18-,19+/m1/s1
InChIKeyAQDZUPNJEVKLLA-COQIJWMOSA-N
XLogP3.80
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.64
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-[(1S,4R)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
CID 11294107
1-[(2R,3R,4R)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethoxy]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163862001
diethyl 2-[(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]propanedioate
CID 10817500
tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 11376958
ethyl (2E,4E)-5-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]penta-2,4-dienoate
CID 6476944
ethyl (2Z,4E)-5-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]penta-2,4-dienoate
CID 6476946
[(2S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 6429500
1-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 57102324
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
CID 20744743
ethyl [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methoxyphosphoryl]formate
CID 5272112
1-[(2R,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-prop-2-enyloxolan-2-yl]pyrimidine-2,4-dione
CID 11280520
1-[(2R,4R,5R)-3,3-dibromo-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 141489547

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate (CID 10182296) is ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate is CCOC(=O)/C=C/C1=C[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1CO[Si](C)(C)C(C)(C)C(C)C.
What is the InChIKey of ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate?
The InChIKey is AQDZUPNJEVKLLA-COQIJWMOSA-N. The full InChI is InChI=1S/C23H36N2O5Si/c1-8-29-21(27)10-9-17-13-19(25-12-11-20(26)24-22(25)28)14-18(17)15-30-31(6,7)23(4,5)16(2)3/h9-13,16,18-19H,8,14-15H2,1-7H3,(H,24,26,28)/b10-9+/t18-,19+/m1/s1.
What are the key properties of ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate?
ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate has a molecular weight of 448.64 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(3R,5S)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)cyclopenten-1-yl]prop-2-enoate is sourced from PubChem (CID 10182296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).