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

C11H20O4Si — CID 134988334

IUPACdimethyl (Z)-3-trimethylsilylhex-2-enedioate
SMILESCOC(=O)/C=C(/CCC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C11H20O4Si/c1-14-10(12)7-6-9(16(3,4)5)8-11(13)15-2/h8H,6-7H2,1-5H3/b9-8-
InChIKeyAJIJACXCVLXBEZ-HJWRWDBZSA-N
MW244.36 g/mol
LogP1.92
Rot. Bonds5

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

dimethyl (Z)-3-trimethylsilylhex-2-enedioate (PubChem CID 134988334) has the molecular formula C11H20O4Si and a molecular weight of 244.36 g/mol. Its IUPAC name is dimethyl (Z)-3-trimethylsilylhex-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z)-3-trimethylsilylhex-2-enedioate
PubChem CID134988334
Molecular FormulaC11H20O4Si
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Namedimethyl (Z)-3-trimethylsilylhex-2-enedioate
SMILESCOC(=O)/C=C(/CCC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C11H20O4Si/c1-14-10(12)7-6-9(16(3,4)5)8-11(13)15-2/h8H,6-7H2,1-5H3/b9-8-
InChIKeyAJIJACXCVLXBEZ-HJWRWDBZSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-trimethylsilylhex-2-enedioate?
The IUPAC name of dimethyl (Z)-3-trimethylsilylhex-2-enedioate (CID 134988334) is dimethyl (Z)-3-trimethylsilylhex-2-enedioate.
What is the SMILES notation for dimethyl (Z)-3-trimethylsilylhex-2-enedioate?
The canonical SMILES for dimethyl (Z)-3-trimethylsilylhex-2-enedioate is COC(=O)/C=C(/CCC(=O)OC)[Si](C)(C)C.
What is the InChIKey of dimethyl (Z)-3-trimethylsilylhex-2-enedioate?
The InChIKey is AJIJACXCVLXBEZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H20O4Si/c1-14-10(12)7-6-9(16(3,4)5)8-11(13)15-2/h8H,6-7H2,1-5H3/b9-8-.
What are the key properties of dimethyl (Z)-3-trimethylsilylhex-2-enedioate?
dimethyl (Z)-3-trimethylsilylhex-2-enedioate has a molecular weight of 244.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-3-trimethylsilylhex-2-enedioate is sourced from PubChem (CID 134988334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).