2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane

C15H30O3Si — CID 86204655

IUPAC2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane
SMILESC=CCOCC(CC)(COCC=C)CO[Si](C)(C)C
InChIInChI=1S/C15H30O3Si/c1-7-10-16-12-15(9-3,13-17-11-8-2)14-18-19(4,5)6/h7-8H,1-2,9-14H2,3-6H3
InChIKeyZWHMUNZPBINKBE-UHFFFAOYSA-N
MW286.49 g/mol
LogP3.64
Rot. Bonds12

About 2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane

2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane (PubChem CID 86204655) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane.

Molecular Properties

Compound Name2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane
PubChem CID86204655
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane
SMILESC=CCOCC(CC)(COCC=C)CO[Si](C)(C)C
InChIInChI=1S/C15H30O3Si/c1-7-10-16-12-15(9-3,13-17-11-8-2)14-18-19(4,5)6/h7-8H,1-2,9-14H2,3-6H3
InChIKeyZWHMUNZPBINKBE-UHFFFAOYSA-N
XLogP3.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.64
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane?
The IUPAC name of 2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane (CID 86204655) is 2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane.
What is the SMILES notation for 2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane?
The canonical SMILES for 2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane is C=CCOCC(CC)(COCC=C)CO[Si](C)(C)C.
What is the InChIKey of 2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane?
The InChIKey is ZWHMUNZPBINKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-7-10-16-12-15(9-3,13-17-11-8-2)14-18-19(4,5)6/h7-8H,1-2,9-14H2,3-6H3.
What are the key properties of 2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane?
2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane has a molecular weight of 286.49 g/mol, XLogP of 3.64, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enoxymethyl)butoxy-trimethylsilane is sourced from PubChem (CID 86204655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).