dimethyl (E)-2-trimethylsilylbut-2-enedioate

C9H16O4Si — CID 22895881

IUPACdimethyl (E)-2-trimethylsilylbut-2-enedioate
SMILESCOC(=O)/C=C(\C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C9H16O4Si/c1-12-8(10)6-7(9(11)13-2)14(3,4)5/h6H,1-5H3/b7-6+
InChIKeyQRMFDCQFWIFEFY-VOTSOKGWSA-N
MW216.31 g/mol
LogP1.14
Rot. Bonds3

About dimethyl (E)-2-trimethylsilylbut-2-enedioate

dimethyl (E)-2-trimethylsilylbut-2-enedioate (PubChem CID 22895881) has the molecular formula C9H16O4Si and a molecular weight of 216.31 g/mol. Its IUPAC name is dimethyl (E)-2-trimethylsilylbut-2-enedioate.

Molecular Properties

Compound Namedimethyl (E)-2-trimethylsilylbut-2-enedioate
PubChem CID22895881
Molecular FormulaC9H16O4Si
Molecular Weight216.31 g/mol
Exact Mass216.08
IUPAC Namedimethyl (E)-2-trimethylsilylbut-2-enedioate
SMILESCOC(=O)/C=C(\C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C9H16O4Si/c1-12-8(10)6-7(9(11)13-2)14(3,4)5/h6H,1-5H3/b7-6+
InChIKeyQRMFDCQFWIFEFY-VOTSOKGWSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.14
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 (E)-2-trimethylsilylbut-2-enedioate?
The IUPAC name of dimethyl (E)-2-trimethylsilylbut-2-enedioate (CID 22895881) is dimethyl (E)-2-trimethylsilylbut-2-enedioate.
What is the SMILES notation for dimethyl (E)-2-trimethylsilylbut-2-enedioate?
The canonical SMILES for dimethyl (E)-2-trimethylsilylbut-2-enedioate is COC(=O)/C=C(\C(=O)OC)[Si](C)(C)C.
What is the InChIKey of dimethyl (E)-2-trimethylsilylbut-2-enedioate?
The InChIKey is QRMFDCQFWIFEFY-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H16O4Si/c1-12-8(10)6-7(9(11)13-2)14(3,4)5/h6H,1-5H3/b7-6+.
What are the key properties of dimethyl (E)-2-trimethylsilylbut-2-enedioate?
dimethyl (E)-2-trimethylsilylbut-2-enedioate has a molecular weight of 216.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-2-trimethylsilylbut-2-enedioate is sourced from PubChem (CID 22895881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).