3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate

C13H28O4Si3 — CID 58210252

IUPAC3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate
SMILESC#CC(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H28O4Si3/c1-9-13(14)15-11-10-12-20(8,16-18(2,3)4)17-19(5,6)7/h1H,10-12H2,2-8H3
InChIKeyMWEWBOPUBCGJQP-UHFFFAOYSA-N
MW332.62 g/mol
LogP3.33
Rot. Bonds8

About 3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate

3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate (PubChem CID 58210252) has the molecular formula C13H28O4Si3 and a molecular weight of 332.62 g/mol. Its IUPAC name is 3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate.

Molecular Properties

Compound Name3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate
PubChem CID58210252
Molecular FormulaC13H28O4Si3
Molecular Weight332.62 g/mol
Exact Mass332.13
IUPAC Name3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate
SMILESC#CC(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H28O4Si3/c1-9-13(14)15-11-10-12-20(8,16-18(2,3)4)17-19(5,6)7/h1H,10-12H2,2-8H3
InChIKeyMWEWBOPUBCGJQP-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.62
LogP ≤ 53.33
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': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate?
The IUPAC name of 3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate (CID 58210252) is 3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate.
What is the SMILES notation for 3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate?
The canonical SMILES for 3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate is C#CC(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate?
The InChIKey is MWEWBOPUBCGJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si3/c1-9-13(14)15-11-10-12-20(8,16-18(2,3)4)17-19(5,6)7/h1H,10-12H2,2-8H3.
What are the key properties of 3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate?
3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate has a molecular weight of 332.62 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-bis(trimethylsilyloxy)silyl]propyl prop-2-ynoate is sourced from PubChem (CID 58210252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).