diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate

C20H38O4Si2 — CID 10431005

IUPACdiethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate
SMILESCCOC(=O)/C(=C/[Si](C)(C)C)CCCC/C(=C\[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C20H38O4Si2/c1-9-23-19(21)17(15-25(3,4)5)13-11-12-14-18(16-26(6,7)8)20(22)24-10-2/h15-16H,9-14H2,1-8H3/b17-15+,18-16+
InChIKeyGMHNSAIKKUQDLM-YTEMWHBBSA-N
MW398.69 g/mol
LogP5.28
Rot. Bonds11

About diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate

diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate (PubChem CID 10431005) has the molecular formula C20H38O4Si2 and a molecular weight of 398.69 g/mol. Its IUPAC name is diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate.

Molecular Properties

Compound Namediethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate
PubChem CID10431005
Molecular FormulaC20H38O4Si2
Molecular Weight398.69 g/mol
Exact Mass398.23
IUPAC Namediethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate
SMILESCCOC(=O)/C(=C/[Si](C)(C)C)CCCC/C(=C\[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C20H38O4Si2/c1-9-23-19(21)17(15-25(3,4)5)13-11-12-14-18(16-26(6,7)8)20(22)24-10-2/h15-16H,9-14H2,1-8H3/b17-15+,18-16+
InChIKeyGMHNSAIKKUQDLM-YTEMWHBBSA-N
XLogP5.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.69
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

Ethyl 2-methylenetridecanoate
CID 13661680
Ethyl 2-methylidenenonanoate
CID 10703126
Ethyl 2-methylideneoctanoate
CID 12456491
Ethyl 2-methylidenedecanoate
CID 13191418
Methyl trans-2,3-methylenedocosanoate
CID 129727335
Diethyl 2,6-dimethyleneheptanedioate
CID 3017946
10-Fluorodecyl 2-methylideneicosanoate
CID 54190719
Dodecyl 9-fluoro-2-methylidenenonanoate
CID 89916737
1-Fluorohexyl 2-methylidenetridecanoate
CID 145816350
1-Fluorooctyl 2-methylidenepentadecanoate
CID 156661913
1-Fluoroheptyl 2-methylidenetetradecanoate
CID 156699998
Heptadecyl 2-(fluoromethylidene)dodecanoate
CID 174676802

Frequently Asked Questions

What is the IUPAC name of diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate?
The IUPAC name of diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate (CID 10431005) is diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate.
What is the SMILES notation for diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate?
The canonical SMILES for diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate is CCOC(=O)/C(=C/[Si](C)(C)C)CCCC/C(=C\[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate?
The InChIKey is GMHNSAIKKUQDLM-YTEMWHBBSA-N. The full InChI is InChI=1S/C20H38O4Si2/c1-9-23-19(21)17(15-25(3,4)5)13-11-12-14-18(16-26(6,7)8)20(22)24-10-2/h15-16H,9-14H2,1-8H3/b17-15+,18-16+.
What are the key properties of diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate?
diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate has a molecular weight of 398.69 g/mol, XLogP of 5.28, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate is sourced from PubChem (CID 10431005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).