ethyl (E)-2-triethylsilylhept-2-enoate

C15H30O2Si — CID 135071025

IUPACethyl (E)-2-triethylsilylhept-2-enoate
SMILESCCCC/C=C(\C(=O)OCC)[Si](CC)(CC)CC
InChIInChI=1S/C15H30O2Si/c1-6-11-12-13-14(15(16)17-7-2)18(8-3,9-4)10-5/h13H,6-12H2,1-5H3/b14-13+
InChIKeyDVORANKTFWQCJY-BUHFOSPRSA-N
MW270.49 g/mol
LogP4.71
Rot. Bonds9

About ethyl (E)-2-triethylsilylhept-2-enoate

ethyl (E)-2-triethylsilylhept-2-enoate (PubChem CID 135071025) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is ethyl (E)-2-triethylsilylhept-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-triethylsilylhept-2-enoate
PubChem CID135071025
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nameethyl (E)-2-triethylsilylhept-2-enoate
SMILESCCCC/C=C(\C(=O)OCC)[Si](CC)(CC)CC
InChIInChI=1S/C15H30O2Si/c1-6-11-12-13-14(15(16)17-7-2)18(8-3,9-4)10-5/h13H,6-12H2,1-5H3/b14-13+
InChIKeyDVORANKTFWQCJY-BUHFOSPRSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-triethylsilylhept-2-enoate?
The IUPAC name of ethyl (E)-2-triethylsilylhept-2-enoate (CID 135071025) is ethyl (E)-2-triethylsilylhept-2-enoate.
What is the SMILES notation for ethyl (E)-2-triethylsilylhept-2-enoate?
The canonical SMILES for ethyl (E)-2-triethylsilylhept-2-enoate is CCCC/C=C(\C(=O)OCC)[Si](CC)(CC)CC.
What is the InChIKey of ethyl (E)-2-triethylsilylhept-2-enoate?
The InChIKey is DVORANKTFWQCJY-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-6-11-12-13-14(15(16)17-7-2)18(8-3,9-4)10-5/h13H,6-12H2,1-5H3/b14-13+.
What are the key properties of ethyl (E)-2-triethylsilylhept-2-enoate?
ethyl (E)-2-triethylsilylhept-2-enoate has a molecular weight of 270.49 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-triethylsilylhept-2-enoate is sourced from PubChem (CID 135071025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).