5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate

C12H22O2Si — CID 150534360

IUPAC5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC=C[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-11(2)12(13)14-9-7-6-8-10-15(3,4)5/h8,10H,1,6-7,9H2,2-5H3
InChIKeyIENDSMODQNXQJQ-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.32
Rot. Bonds6

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

5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate (PubChem CID 150534360) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate
PubChem CID150534360
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC=C[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-11(2)12(13)14-9-7-6-8-10-15(3,4)5/h8,10H,1,6-7,9H2,2-5H3
InChIKeyIENDSMODQNXQJQ-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.32
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate?
The IUPAC name of 5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate (CID 150534360) is 5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate?
The canonical SMILES for 5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC=C[Si](C)(C)C.
What is the InChIKey of 5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate?
The InChIKey is IENDSMODQNXQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-11(2)12(13)14-9-7-6-8-10-15(3,4)5/h8,10H,1,6-7,9H2,2-5H3.
What are the key properties of 5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate?
5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate has a molecular weight of 226.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilylpent-4-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 150534360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).