4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate

C16H30O5Si — CID 23205841

IUPAC4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate
SMILESC=CC(CCCOC(=O)C(=C)C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H30O5Si/c1-7-15(12-11-13-18-16(17)14(5)6)22(19-8-2,20-9-3)21-10-4/h7,15H,1,5,8-13H2,2-4,6H3
InChIKeyTVTDJSKDPDRUHP-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.49
Rot. Bonds13

About 4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate

4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate (PubChem CID 23205841) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate
PubChem CID23205841
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate
SMILESC=CC(CCCOC(=O)C(=C)C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H30O5Si/c1-7-15(12-11-13-18-16(17)14(5)6)22(19-8-2,20-9-3)21-10-4/h7,15H,1,5,8-13H2,2-4,6H3
InChIKeyTVTDJSKDPDRUHP-UHFFFAOYSA-N
XLogP3.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate?
The IUPAC name of 4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate (CID 23205841) is 4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate?
The canonical SMILES for 4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate is C=CC(CCCOC(=O)C(=C)C)[Si](OCC)(OCC)OCC.
What is the InChIKey of 4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate?
The InChIKey is TVTDJSKDPDRUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-7-15(12-11-13-18-16(17)14(5)6)22(19-8-2,20-9-3)21-10-4/h7,15H,1,5,8-13H2,2-4,6H3.
What are the key properties of 4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate?
4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate has a molecular weight of 330.50 g/mol, XLogP of 3.49, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethoxysilylhex-5-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 23205841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).