1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione

C27H34N2O4Si — CID 70375402

IUPAC1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione
SMILESC=C(COCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C27H34N2O4Si/c1-21(18-29-19-22(2)25(30)28-26(29)31)20-32-16-17-33-34(27(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,19H,1,16-18,20H2,2-5H3,(H,28,30,31)
InChIKeySWXSBFMKVDCEQP-UHFFFAOYSA-N
MW478.67 g/mol
LogP2.99
Rot. Bonds10

About 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione

1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione (PubChem CID 70375402) has the molecular formula C27H34N2O4Si and a molecular weight of 478.67 g/mol. Its IUPAC name is 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione
PubChem CID70375402
Molecular FormulaC27H34N2O4Si
Molecular Weight478.67 g/mol
Exact Mass478.23
IUPAC Name1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione
SMILESC=C(COCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C27H34N2O4Si/c1-21(18-29-19-22(2)25(30)28-26(29)31)20-32-16-17-33-34(27(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,19H,1,16-18,20H2,2-5H3,(H,28,30,31)
InChIKeySWXSBFMKVDCEQP-UHFFFAOYSA-N
XLogP2.99
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.67
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione
CID 101263285
N-[1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-yl]-N-(diethoxyphosphorylmethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 102436522
2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethylcarbamic acid
CID 174053128
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 10695945
1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodo-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 11114591
1-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-5-methylpyrimidine-2,4-dione
CID 10368003
2,2,2-trichloroethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]acetate
CID 70879739
tert-butyl-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-diphenylsilane
CID 68632670
methyl (1S,4R)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,5-difluoro-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopent-2-ene-1-carboxylate
CID 102483289
tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane
CID 144939598
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione (CID 70375402) is 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione is C=C(COCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is SWXSBFMKVDCEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4Si/c1-21(18-29-19-22(2)25(30)28-26(29)31)20-32-16-17-33-34(27(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,19H,1,16-18,20H2,2-5H3,(H,28,30,31).
What are the key properties of 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione?
1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 478.67 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxymethyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 70375402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).