dimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate

C12H22O5Si — CID 5366490

IUPACdimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate
SMILESCOC(=O)/C=C(/CCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C12H22O5Si/c1-15-11(13)8-6-7-10(9-12(14)16-2)17-18(3,4)5/h9H,6-8H2,1-5H3/b10-9-
InChIKeyJNXPLQLDFSZLOF-KTKRTIGZSA-N
MW274.39 g/mol
LogP2.24
Rot. Bonds7

About dimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate

dimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate (PubChem CID 5366490) has the molecular formula C12H22O5Si and a molecular weight of 274.39 g/mol. Its IUPAC name is dimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate
PubChem CID5366490
Molecular FormulaC12H22O5Si
Molecular Weight274.39 g/mol
Exact Mass274.12
IUPAC Namedimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate
SMILESCOC(=O)/C=C(/CCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C12H22O5Si/c1-15-11(13)8-6-7-10(9-12(14)16-2)17-18(3,4)5/h9H,6-8H2,1-5H3/b10-9-
InChIKeyJNXPLQLDFSZLOF-KTKRTIGZSA-N
XLogP2.24
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 dimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate?
The IUPAC name of dimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate (CID 5366490) is dimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate.
What is the SMILES notation for dimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate?
The canonical SMILES for dimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate is COC(=O)/C=C(/CCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of dimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate?
The InChIKey is JNXPLQLDFSZLOF-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H22O5Si/c1-15-11(13)8-6-7-10(9-12(14)16-2)17-18(3,4)5/h9H,6-8H2,1-5H3/b10-9-.
What are the key properties of dimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate?
dimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate has a molecular weight of 274.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-3-trimethylsilyloxyhept-2-enedioate is sourced from PubChem (CID 5366490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).