trimethylsilyl 4-methylpent-2-enoate

C9H18O2Si — CID 155908318

IUPACtrimethylsilyl 4-methylpent-2-enoate
SMILESCC(C)C=CC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(2)6-7-9(10)11-12(3,4)5/h6-8H,1-5H3
InChIKeyWDZGZGHIOXHTBN-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.58
Rot. Bonds3

About trimethylsilyl 4-methylpent-2-enoate

trimethylsilyl 4-methylpent-2-enoate (PubChem CID 155908318) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is trimethylsilyl 4-methylpent-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl 4-methylpent-2-enoate
PubChem CID155908318
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Nametrimethylsilyl 4-methylpent-2-enoate
SMILESCC(C)C=CC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(2)6-7-9(10)11-12(3,4)5/h6-8H,1-5H3
InChIKeyWDZGZGHIOXHTBN-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-methylpent-2-enoate?
The IUPAC name of trimethylsilyl 4-methylpent-2-enoate (CID 155908318) is trimethylsilyl 4-methylpent-2-enoate.
What is the SMILES notation for trimethylsilyl 4-methylpent-2-enoate?
The canonical SMILES for trimethylsilyl 4-methylpent-2-enoate is CC(C)C=CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-methylpent-2-enoate?
The InChIKey is WDZGZGHIOXHTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-8(2)6-7-9(10)11-12(3,4)5/h6-8H,1-5H3.
What are the key properties of trimethylsilyl 4-methylpent-2-enoate?
trimethylsilyl 4-methylpent-2-enoate has a molecular weight of 186.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-methylpent-2-enoate is sourced from PubChem (CID 155908318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).