3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane

C12H20O2Si — CID 11183696

IUPAC3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane
SMILESC=CCOC(C#C[Si](C)(C)C)OCC=C
InChIInChI=1S/C12H20O2Si/c1-6-9-13-12(14-10-7-2)8-11-15(3,4)5/h6-7,12H,1-2,9-10H2,3-5H3
InChIKeyVQNVVPRYYQBZOK-UHFFFAOYSA-N
MW224.38 g/mol
LogP2.60
Rot. Bonds6

About 3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane

3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane (PubChem CID 11183696) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is 3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane
PubChem CID11183696
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Name3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane
SMILESC=CCOC(C#C[Si](C)(C)C)OCC=C
InChIInChI=1S/C12H20O2Si/c1-6-9-13-12(14-10-7-2)8-11-15(3,4)5/h6-7,12H,1-2,9-10H2,3-5H3
InChIKeyVQNVVPRYYQBZOK-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane?
The IUPAC name of 3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane (CID 11183696) is 3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane is C=CCOC(C#C[Si](C)(C)C)OCC=C.
What is the InChIKey of 3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane?
The InChIKey is VQNVVPRYYQBZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-6-9-13-12(14-10-7-2)8-11-15(3,4)5/h6-7,12H,1-2,9-10H2,3-5H3.
What are the key properties of 3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane?
3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane has a molecular weight of 224.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 11183696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).