3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate

C16H26O2Si — CID 125401955

IUPAC3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate
SMILESC=CC[Si](CC=C)(CC=C)CCCOC(=O)C(=C)C
InChIInChI=1S/C16H26O2Si/c1-6-11-19(12-7-2,13-8-3)14-9-10-18-16(17)15(4)5/h6-8H,1-4,9-14H2,5H3
InChIKeyDZQKPAZSDBDDET-UHFFFAOYSA-N
MW278.47 g/mol
LogP4.50
Rot. Bonds11

About 3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate

3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate (PubChem CID 125401955) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate
PubChem CID125401955
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate
SMILESC=CC[Si](CC=C)(CC=C)CCCOC(=O)C(=C)C
InChIInChI=1S/C16H26O2Si/c1-6-11-19(12-7-2,13-8-3)14-9-10-18-16(17)15(4)5/h6-8H,1-4,9-14H2,5H3
InChIKeyDZQKPAZSDBDDET-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate?
The IUPAC name of 3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate (CID 125401955) is 3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate is C=CC[Si](CC=C)(CC=C)CCCOC(=O)C(=C)C.
What is the InChIKey of 3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate?
The InChIKey is DZQKPAZSDBDDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-6-11-19(12-7-2,13-8-3)14-9-10-18-16(17)15(4)5/h6-8H,1-4,9-14H2,5H3.
What are the key properties of 3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate?
3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate has a molecular weight of 278.47 g/mol, XLogP of 4.50, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 125401955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).