dimethyl 3-trimethylsilyloxyhex-2-enedioate

C11H20O5Si — CID 552888

IUPACdimethyl 3-trimethylsilyloxyhex-2-enedioate
SMILESCOC(=O)C=C(CCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C11H20O5Si/c1-14-10(12)7-6-9(8-11(13)15-2)16-17(3,4)5/h8H,6-7H2,1-5H3
InChIKeyONRPHJVSSISZSA-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.85
Rot. Bonds6

About dimethyl 3-trimethylsilyloxyhex-2-enedioate

dimethyl 3-trimethylsilyloxyhex-2-enedioate (PubChem CID 552888) has the molecular formula C11H20O5Si and a molecular weight of 260.36 g/mol. Its IUPAC name is dimethyl 3-trimethylsilyloxyhex-2-enedioate.

Molecular Properties

Compound Namedimethyl 3-trimethylsilyloxyhex-2-enedioate
PubChem CID552888
Molecular FormulaC11H20O5Si
Molecular Weight260.36 g/mol
Exact Mass260.11
IUPAC Namedimethyl 3-trimethylsilyloxyhex-2-enedioate
SMILESCOC(=O)C=C(CCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C11H20O5Si/c1-14-10(12)7-6-9(8-11(13)15-2)16-17(3,4)5/h8H,6-7H2,1-5H3
InChIKeyONRPHJVSSISZSA-UHFFFAOYSA-N
XLogP1.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.85
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 3-trimethylsilyloxyhex-2-enedioate?
The IUPAC name of dimethyl 3-trimethylsilyloxyhex-2-enedioate (CID 552888) is dimethyl 3-trimethylsilyloxyhex-2-enedioate.
What is the SMILES notation for dimethyl 3-trimethylsilyloxyhex-2-enedioate?
The canonical SMILES for dimethyl 3-trimethylsilyloxyhex-2-enedioate is COC(=O)C=C(CCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of dimethyl 3-trimethylsilyloxyhex-2-enedioate?
The InChIKey is ONRPHJVSSISZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5Si/c1-14-10(12)7-6-9(8-11(13)15-2)16-17(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of dimethyl 3-trimethylsilyloxyhex-2-enedioate?
dimethyl 3-trimethylsilyloxyhex-2-enedioate has a molecular weight of 260.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-trimethylsilyloxyhex-2-enedioate is sourced from PubChem (CID 552888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).