methyl 2-(trimethylsilylmethylamino)pent-4-enoate

C10H21NO2Si — CID 10900032

IUPACmethyl 2-(trimethylsilylmethylamino)pent-4-enoate
SMILESC=CCC(NC[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C10H21NO2Si/c1-6-7-9(10(12)13-2)11-8-14(3,4)5/h6,9,11H,1,7-8H2,2-5H3
InChIKeyDRWJQPWIMRXOFN-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.57
Rot. Bonds6

About methyl 2-(trimethylsilylmethylamino)pent-4-enoate

methyl 2-(trimethylsilylmethylamino)pent-4-enoate (PubChem CID 10900032) has the molecular formula C10H21NO2Si and a molecular weight of 215.37 g/mol. Its IUPAC name is methyl 2-(trimethylsilylmethylamino)pent-4-enoate.

Molecular Properties

Compound Namemethyl 2-(trimethylsilylmethylamino)pent-4-enoate
PubChem CID10900032
Molecular FormulaC10H21NO2Si
Molecular Weight215.37 g/mol
Exact Mass215.13
IUPAC Namemethyl 2-(trimethylsilylmethylamino)pent-4-enoate
SMILESC=CCC(NC[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C10H21NO2Si/c1-6-7-9(10(12)13-2)11-8-14(3,4)5/h6,9,11H,1,7-8H2,2-5H3
InChIKeyDRWJQPWIMRXOFN-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(trimethylsilylmethylamino)pent-4-enoate?
The IUPAC name of methyl 2-(trimethylsilylmethylamino)pent-4-enoate (CID 10900032) is methyl 2-(trimethylsilylmethylamino)pent-4-enoate.
What is the SMILES notation for methyl 2-(trimethylsilylmethylamino)pent-4-enoate?
The canonical SMILES for methyl 2-(trimethylsilylmethylamino)pent-4-enoate is C=CCC(NC[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(trimethylsilylmethylamino)pent-4-enoate?
The InChIKey is DRWJQPWIMRXOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2Si/c1-6-7-9(10(12)13-2)11-8-14(3,4)5/h6,9,11H,1,7-8H2,2-5H3.
What are the key properties of methyl 2-(trimethylsilylmethylamino)pent-4-enoate?
methyl 2-(trimethylsilylmethylamino)pent-4-enoate has a molecular weight of 215.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(trimethylsilylmethylamino)pent-4-enoate is sourced from PubChem (CID 10900032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).