5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione

C15H27BrN2O4Si — CID 174058959

IUPAC5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)C(=CBr)N(CCOCCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C15H27BrN2O4Si/c1-15(2,3)23(5,6)22-10-9-21-8-7-18-12(11-16)13(19)17(4)14(18)20/h11H,7-10H2,1-6H3
InChIKeyAHGTWIVHHMMNLE-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.16
Rot. Bonds7

About 5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione

5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione (PubChem CID 174058959) has the molecular formula C15H27BrN2O4Si and a molecular weight of 407.38 g/mol. Its IUPAC name is 5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione
PubChem CID174058959
Molecular FormulaC15H27BrN2O4Si
Molecular Weight407.38 g/mol
Exact Mass406.09
IUPAC Name5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)C(=CBr)N(CCOCCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C15H27BrN2O4Si/c1-15(2,3)23(5,6)22-10-9-21-8-7-18-12(11-16)13(19)17(4)14(18)20/h11H,7-10H2,1-6H3
InChIKeyAHGTWIVHHMMNLE-UHFFFAOYSA-N
XLogP3.16
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471536
5-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylimidazolidine-2,4-dione
CID 174058916
2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy-tert-butyl-dimethylsilane
CID 91254063
2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane
CID 18469819
tert-butyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-dimethylsilane
CID 91694118
O-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hydroxylamine
CID 23132349
2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]acetic acid
CID 170898180
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3,3-dimethylpentanal
CID 86640420
(5Z)-5-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-methylimidazolidine-2,4-dione
CID 174060740
methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate
CID 166457077
tert-butyl-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane;2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 158402595
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]propanoate
CID 170898911

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione (CID 174058959) is 5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione is CN1C(=O)C(=CBr)N(CCOCCO[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione?
The InChIKey is AHGTWIVHHMMNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN2O4Si/c1-15(2,3)23(5,6)22-10-9-21-8-7-18-12(11-16)13(19)17(4)14(18)20/h11H,7-10H2,1-6H3.
What are the key properties of 5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione?
5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione has a molecular weight of 407.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 174058959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).