butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene

C25H40O4Si — CID 174489864

About butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene

butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene (PubChem CID 174489864) has the molecular formula C25H40O4Si and a molecular weight of 432.68 g/mol. Its IUPAC name is butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene.

Molecular Properties

• Compound Name: butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene
• PubChem CID: 174489864
• Molecular Formula: C25H40O4Si
• Molecular Weight: 432.68 g/mol
• Exact Mass: 432.27
• IUPAC Name: butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene
• SMILES: C=C(C)C(=O)OC.C=CC(=O)OCCCC.C=C[Si](C)(C)C.C=Cc1ccccc1
• InChI: InChI=1S/C8H8.C7H12O2.C5H8O2.C5H12Si/c1-2-8-6-4-3-5-7-8;1-3-5-6-9-7(8)4-2;1-4(2)5(6)7-3;1-5-6(2,3)4/h2-7H,1H2;4H,2-3,5-6H2,1H3;1H2,2-3H3;5H,1H2,2-4H3
• InChIKey: FZUUIBCUUCGQSN-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.68
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene?

The IUPAC name of butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene (CID 174489864) is butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene.

What is the SMILES notation for butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene?

The canonical SMILES for butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene is C=C(C)C(=O)OC.C=CC(=O)OCCCC.C=C[Si](C)(C)C.C=Cc1ccccc1.

What is the InChIKey of butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene?

The InChIKey is FZUUIBCUUCGQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C7H12O2.C5H8O2.C5H12Si/c1-2-8-6-4-3-5-7-8;1-3-5-6-9-7(8)4-2;1-4(2)5(6)7-3;1-5-6(2,3)4/h2-7H,1H2;4H,2-3,5-6H2,1H3;1H2,2-3H3;5H,1H2,2-4H3.

What are the key properties of butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene?

butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene has a molecular weight of 432.68 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene is sourced from PubChem (CID 174489864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).