diethyl 2-(4-trimethoxysilylbutyl)propanedioate

C14H28O7Si — CID 139605977

IUPACdiethyl 2-(4-trimethoxysilylbutyl)propanedioate
SMILESCCOC(=O)C(CCCC[Si](OC)(OC)OC)C(=O)OCC
InChIInChI=1S/C14H28O7Si/c1-6-20-13(15)12(14(16)21-7-2)10-8-9-11-22(17-3,18-4)19-5/h12H,6-11H2,1-5H3
InChIKeyUCOLHNUVYZADEE-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.78
Rot. Bonds12

About diethyl 2-(4-trimethoxysilylbutyl)propanedioate

diethyl 2-(4-trimethoxysilylbutyl)propanedioate (PubChem CID 139605977) has the molecular formula C14H28O7Si and a molecular weight of 336.46 g/mol. Its IUPAC name is diethyl 2-(4-trimethoxysilylbutyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(4-trimethoxysilylbutyl)propanedioate
PubChem CID139605977
Molecular FormulaC14H28O7Si
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Namediethyl 2-(4-trimethoxysilylbutyl)propanedioate
SMILESCCOC(=O)C(CCCC[Si](OC)(OC)OC)C(=O)OCC
InChIInChI=1S/C14H28O7Si/c1-6-20-13(15)12(14(16)21-7-2)10-8-9-11-22(17-3,18-4)19-5/h12H,6-11H2,1-5H3
InChIKeyUCOLHNUVYZADEE-UHFFFAOYSA-N
XLogP1.78
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.78
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 butylmalonate
CID 67244
Diethyl isopentylmalonate
CID 79384
1,3-Diethyl 2-(1-methylbutyl)propanedioate
CID 95449
Dimethyl butylmalonate
CID 251070
Diethyl (3-(triethoxysilyl)propyl)malonate
CID 89698
2-(2-Methyl-butyl)-malonic acid diethyl ester
CID 12600621
Ethyl 2-(trimethylsilylmethyl)hexanoate
CID 10014095
Dibutyl butylpropanedioate
CID 13464422
Diethyl-2-fluoro-n-butylmalonate
CID 131711241
diethyl [(R)-1-methylbutyl]malonate
CID 6994705
diethyl (S)-2-methylbutylmalonate
CID 12600622
methyl (2S)-2-(acetyloxymethyl)hexanoate
CID 131850434

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(4-trimethoxysilylbutyl)propanedioate?
The IUPAC name of diethyl 2-(4-trimethoxysilylbutyl)propanedioate (CID 139605977) is diethyl 2-(4-trimethoxysilylbutyl)propanedioate.
What is the SMILES notation for diethyl 2-(4-trimethoxysilylbutyl)propanedioate?
The canonical SMILES for diethyl 2-(4-trimethoxysilylbutyl)propanedioate is CCOC(=O)C(CCCC[Si](OC)(OC)OC)C(=O)OCC.
What is the InChIKey of diethyl 2-(4-trimethoxysilylbutyl)propanedioate?
The InChIKey is UCOLHNUVYZADEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O7Si/c1-6-20-13(15)12(14(16)21-7-2)10-8-9-11-22(17-3,18-4)19-5/h12H,6-11H2,1-5H3.
What are the key properties of diethyl 2-(4-trimethoxysilylbutyl)propanedioate?
diethyl 2-(4-trimethoxysilylbutyl)propanedioate has a molecular weight of 336.46 g/mol, XLogP of 1.78, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(4-trimethoxysilylbutyl)propanedioate is sourced from PubChem (CID 139605977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).