diethyl 2-(6-trimethoxysilylhexyl)propanedioate

C16H32O7Si — CID 139605973

IUPACdiethyl 2-(6-trimethoxysilylhexyl)propanedioate
SMILESCCOC(=O)C(CCCCCC[Si](OC)(OC)OC)C(=O)OCC
InChIInChI=1S/C16H32O7Si/c1-6-22-15(17)14(16(18)23-7-2)12-10-8-9-11-13-24(19-3,20-4)21-5/h14H,6-13H2,1-5H3
InChIKeyQXYPECSDBYGCSK-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.56
Rot. Bonds14

About diethyl 2-(6-trimethoxysilylhexyl)propanedioate

diethyl 2-(6-trimethoxysilylhexyl)propanedioate (PubChem CID 139605973) has the molecular formula C16H32O7Si and a molecular weight of 364.51 g/mol. Its IUPAC name is diethyl 2-(6-trimethoxysilylhexyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(6-trimethoxysilylhexyl)propanedioate
PubChem CID139605973
Molecular FormulaC16H32O7Si
Molecular Weight364.51 g/mol
Exact Mass364.19
IUPAC Namediethyl 2-(6-trimethoxysilylhexyl)propanedioate
SMILESCCOC(=O)C(CCCCCC[Si](OC)(OC)OC)C(=O)OCC
InChIInChI=1S/C16H32O7Si/c1-6-22-15(17)14(16(18)23-7-2)12-10-8-9-11-13-24(19-3,20-4)21-5/h14H,6-13H2,1-5H3
InChIKeyQXYPECSDBYGCSK-UHFFFAOYSA-N
XLogP2.56
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Diethyl hexylmalonate
CID 79385
Diethyl pentylmalonate
CID 80167
Diethyl tetradecylpropanedioate
CID 252353
Diethyl 2-tridecylpropanedioate
CID 56676753
Diethyl 2-pentadecylpropanedioate
CID 56676754
Diethyl hexadecylmalonate
CID 96432
Diethyl heptylmalonate
CID 219464
Tetraethyl 1,1,5,5-pentanetetracarboxylate
CID 249300
Diethyl dodecylpropanedioate
CID 252349
Diethyl octylmalonate
CID 252340
Diethyl octadecylpropanedioate
CID 252260
Diethyl (3-(triethoxysilyl)propyl)malonate
CID 89698

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(6-trimethoxysilylhexyl)propanedioate?
The IUPAC name of diethyl 2-(6-trimethoxysilylhexyl)propanedioate (CID 139605973) is diethyl 2-(6-trimethoxysilylhexyl)propanedioate.
What is the SMILES notation for diethyl 2-(6-trimethoxysilylhexyl)propanedioate?
The canonical SMILES for diethyl 2-(6-trimethoxysilylhexyl)propanedioate is CCOC(=O)C(CCCCCC[Si](OC)(OC)OC)C(=O)OCC.
What is the InChIKey of diethyl 2-(6-trimethoxysilylhexyl)propanedioate?
The InChIKey is QXYPECSDBYGCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O7Si/c1-6-22-15(17)14(16(18)23-7-2)12-10-8-9-11-13-24(19-3,20-4)21-5/h14H,6-13H2,1-5H3.
What are the key properties of diethyl 2-(6-trimethoxysilylhexyl)propanedioate?
diethyl 2-(6-trimethoxysilylhexyl)propanedioate has a molecular weight of 364.51 g/mol, XLogP of 2.56, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(6-trimethoxysilylhexyl)propanedioate is sourced from PubChem (CID 139605973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).