2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane

C11H19BrO3Si — CID 10924812

IUPAC2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOCC1OC1C#CBr
InChIInChI=1S/C11H19BrO3Si/c1-16(2,3)7-6-13-9-14-8-11-10(15-11)4-5-12/h10-11H,6-9H2,1-3H3
InChIKeyJANYRBHSXZMRQU-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.44
Rot. Bonds7

About 2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane

2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane (PubChem CID 10924812) has the molecular formula C11H19BrO3Si and a molecular weight of 307.26 g/mol. Its IUPAC name is 2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane
PubChem CID10924812
Molecular FormulaC11H19BrO3Si
Molecular Weight307.26 g/mol
Exact Mass306.03
IUPAC Name2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOCC1OC1C#CBr
InChIInChI=1S/C11H19BrO3Si/c1-16(2,3)7-6-13-9-14-8-11-10(15-11)4-5-12/h10-11H,6-9H2,1-3H3
InChIKeyJANYRBHSXZMRQU-UHFFFAOYSA-N
XLogP2.44
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane (CID 10924812) is 2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCOCC1OC1C#CBr.
What is the InChIKey of 2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane?
The InChIKey is JANYRBHSXZMRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO3Si/c1-16(2,3)7-6-13-9-14-8-11-10(15-11)4-5-12/h10-11H,6-9H2,1-3H3.
What are the key properties of 2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane?
2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane has a molecular weight of 307.26 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-bromoethynyl)oxiran-2-yl]methoxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 10924812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).