trimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate

C19H37NO3Si — CID 19704303

IUPACtrimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate
SMILESC=C(C)C(=O)NC(CCCCCCCCCC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H37NO3Si/c1-7-8-9-10-11-12-13-14-15-17(20-18(21)16(2)3)19(22)23-24(4,5)6/h17H,2,7-15H2,1,3-6H3,(H,20,21)
InChIKeyKTNIKSBZQNZVRE-UHFFFAOYSA-N
MW355.60 g/mol
LogP4.96
Rot. Bonds13

About trimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate

trimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate (PubChem CID 19704303) has the molecular formula C19H37NO3Si and a molecular weight of 355.60 g/mol. Its IUPAC name is trimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate
PubChem CID19704303
Molecular FormulaC19H37NO3Si
Molecular Weight355.60 g/mol
Exact Mass355.25
IUPAC Nametrimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate
SMILESC=C(C)C(=O)NC(CCCCCCCCCC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H37NO3Si/c1-7-8-9-10-11-12-13-14-15-17(20-18(21)16(2)3)19(22)23-24(4,5)6/h17H,2,7-15H2,1,3-6H3,(H,20,21)
InChIKeyKTNIKSBZQNZVRE-UHFFFAOYSA-N
XLogP4.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.60
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 trimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate?
The IUPAC name of trimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate (CID 19704303) is trimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate.
What is the SMILES notation for trimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate?
The canonical SMILES for trimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate is C=C(C)C(=O)NC(CCCCCCCCCC)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate?
The InChIKey is KTNIKSBZQNZVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3Si/c1-7-8-9-10-11-12-13-14-15-17(20-18(21)16(2)3)19(22)23-24(4,5)6/h17H,2,7-15H2,1,3-6H3,(H,20,21).
What are the key properties of trimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate?
trimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate has a molecular weight of 355.60 g/mol, XLogP of 4.96, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(2-methylprop-2-enoylamino)dodecanoate is sourced from PubChem (CID 19704303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).