ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate

C18H38O2Si2 — CID 164665760

IUPACethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate
SMILESCCOC(=O)CC(C)CCC=C(C[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-9-20-18(19)13-16(2)11-10-12-17(14-21(3,4)5)15-22(6,7)8/h12,16H,9-11,13-15H2,1-8H3
InChIKeyFDOYMKJZPYIMRX-UHFFFAOYSA-N
MW342.67 g/mol
LogP5.96
Rot. Bonds10

About ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate

ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate (PubChem CID 164665760) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate.

Molecular Properties

Compound Nameethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate
PubChem CID164665760
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Nameethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate
SMILESCCOC(=O)CC(C)CCC=C(C[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-9-20-18(19)13-16(2)11-10-12-17(14-21(3,4)5)15-22(6,7)8/h12,16H,9-11,13-15H2,1-8H3
InChIKeyFDOYMKJZPYIMRX-UHFFFAOYSA-N
XLogP5.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate?
The IUPAC name of ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate (CID 164665760) is ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate.
What is the SMILES notation for ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate?
The canonical SMILES for ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate is CCOC(=O)CC(C)CCC=C(C[Si](C)(C)C)C[Si](C)(C)C.
What is the InChIKey of ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate?
The InChIKey is FDOYMKJZPYIMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-9-20-18(19)13-16(2)11-10-12-17(14-21(3,4)5)15-22(6,7)8/h12,16H,9-11,13-15H2,1-8H3.
What are the key properties of ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate?
ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate has a molecular weight of 342.67 g/mol, XLogP of 5.96, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate is sourced from PubChem (CID 164665760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).