dimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate

C20H36N2O9Si — CID 123750354

IUPACdimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate
SMILESCCO[Si](OCC)(OCC)C(=CCC(NC(C)=O)C(=O)OC)CC(NC(C)=O)C(=O)OC
InChIInChI=1S/C20H36N2O9Si/c1-8-29-32(30-9-2,31-10-3)16(13-18(20(26)28-7)22-15(5)24)11-12-17(19(25)27-6)21-14(4)23/h11,17-18H,8-10,12-13H2,1-7H3,(H,21,23)(H,22,24)
InChIKeyOFFLUAIOMJGJDJ-UHFFFAOYSA-N
MW476.60 g/mol
LogP0.64
Rot. Bonds15

About dimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate

dimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate (PubChem CID 123750354) has the molecular formula C20H36N2O9Si and a molecular weight of 476.60 g/mol. Its IUPAC name is dimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate.

Molecular Properties

Compound Namedimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate
PubChem CID123750354
Molecular FormulaC20H36N2O9Si
Molecular Weight476.60 g/mol
Exact Mass476.22
IUPAC Namedimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate
SMILESCCO[Si](OCC)(OCC)C(=CCC(NC(C)=O)C(=O)OC)CC(NC(C)=O)C(=O)OC
InChIInChI=1S/C20H36N2O9Si/c1-8-29-32(30-9-2,31-10-3)16(13-18(20(26)28-7)22-15(5)24)11-12-17(19(25)27-6)21-14(4)23/h11,17-18H,8-10,12-13H2,1-7H3,(H,21,23)(H,22,24)
InChIKeyOFFLUAIOMJGJDJ-UHFFFAOYSA-N
XLogP0.64
TPSA138.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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dimethyl 2,5-diacetamidohexanedioate
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5-O-ethyl 1-O-methyl 2-acetamidopentanedioate
CID 11345256
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CID 54565842
methyl 2-acetamido-3-acetyloxypropanoate
CID 538243
methyl (2R)-2-acetamido-3-methylsulfanylpropanoate
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methyl 2-acetamidohex-4-ynoate
CID 88545057
dimethyl (2S)-2-[[(3S)-3-acetamido-4-methoxy-4-oxobutanoyl]amino]-6-hydroxyheptanedioate
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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate?
The IUPAC name of dimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate (CID 123750354) is dimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate.
What is the SMILES notation for dimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate?
The canonical SMILES for dimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate is CCO[Si](OCC)(OCC)C(=CCC(NC(C)=O)C(=O)OC)CC(NC(C)=O)C(=O)OC.
What is the InChIKey of dimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate?
The InChIKey is OFFLUAIOMJGJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O9Si/c1-8-29-32(30-9-2,31-10-3)16(13-18(20(26)28-7)22-15(5)24)11-12-17(19(25)27-6)21-14(4)23/h11,17-18H,8-10,12-13H2,1-7H3,(H,21,23)(H,22,24).
What are the key properties of dimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate?
dimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate has a molecular weight of 476.60 g/mol, XLogP of 0.64, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,7-diacetamido-4-triethoxysilyloct-4-enedioate is sourced from PubChem (CID 123750354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).