diethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate

C25H48O4Si — CID 86200675

IUPACdiethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate
SMILESCCOC(=O)C(CCCCCCCCCC[Si](C)(C)C1CCCCC1)C(=O)OCC
InChIInChI=1S/C25H48O4Si/c1-5-28-24(26)23(25(27)29-6-2)20-16-11-9-7-8-10-12-17-21-30(3,4)22-18-14-13-15-19-22/h22-23H,5-21H2,1-4H3
InChIKeyTYFOLXSVSBPOCT-UHFFFAOYSA-N
MW440.74 g/mol
LogP7.28
Rot. Bonds16

About diethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate

diethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate (PubChem CID 86200675) has the molecular formula C25H48O4Si and a molecular weight of 440.74 g/mol. Its IUPAC name is diethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate
PubChem CID86200675
Molecular FormulaC25H48O4Si
Molecular Weight440.74 g/mol
Exact Mass440.33
IUPAC Namediethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate
SMILESCCOC(=O)C(CCCCCCCCCC[Si](C)(C)C1CCCCC1)C(=O)OCC
InChIInChI=1S/C25H48O4Si/c1-5-28-24(26)23(25(27)29-6-2)20-16-11-9-7-8-10-12-17-21-30(3,4)22-18-14-13-15-19-22/h22-23H,5-21H2,1-4H3
InChIKeyTYFOLXSVSBPOCT-UHFFFAOYSA-N
XLogP7.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.74
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tetradecylpropanedioate
CID 252353
Diethyl 2-tridecylpropanedioate
CID 56676753
Diethyl 2-pentadecylpropanedioate
CID 56676754
Diethyl hexadecylmalonate
CID 96432
Diethyl dodecylpropanedioate
CID 252349
Diethyl octadecylpropanedioate
CID 252260
Diethyl Decylmalonate
CID 252345
Diethyl 4-[[tert-butyl(dimethyl)silyl]methyl]-3-ethylcyclohexane-1,1-dicarboxylate
CID 11361131
Diisononylcyclohexane dicarboxylate
CID 17961911
Diisodecyl cyclohexane dicarboxylate
CID 69933479
Butyl carbobutoxystearate
CID 129727831
Diethyl 2-cyclohexylmethylmalonate
CID 599487

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate?
The IUPAC name of diethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate (CID 86200675) is diethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate.
What is the SMILES notation for diethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate?
The canonical SMILES for diethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate is CCOC(=O)C(CCCCCCCCCC[Si](C)(C)C1CCCCC1)C(=O)OCC.
What is the InChIKey of diethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate?
The InChIKey is TYFOLXSVSBPOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O4Si/c1-5-28-24(26)23(25(27)29-6-2)20-16-11-9-7-8-10-12-17-21-30(3,4)22-18-14-13-15-19-22/h22-23H,5-21H2,1-4H3.
What are the key properties of diethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate?
diethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate has a molecular weight of 440.74 g/mol, XLogP of 7.28, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[10-[cyclohexyl(dimethyl)silyl]decyl]propanedioate is sourced from PubChem (CID 86200675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).