(E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid

C10H18O4Si — CID 87533904

IUPAC(E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid
SMILESC[Si](C)(C)CCC/C(=C\C(=O)O)C(=O)O
InChIInChI=1S/C10H18O4Si/c1-15(2,3)6-4-5-8(10(13)14)7-9(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)/b8-7+
InChIKeyYFHRBFNQXCHTJA-BQYQJAHWSA-N
MW230.34 g/mol
LogP2.20
Rot. Bonds6

About (E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid

(E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid (PubChem CID 87533904) has the molecular formula C10H18O4Si and a molecular weight of 230.34 g/mol. Its IUPAC name is (E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid.

Molecular Properties

Compound Name(E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid
PubChem CID87533904
Molecular FormulaC10H18O4Si
Molecular Weight230.34 g/mol
Exact Mass230.10
IUPAC Name(E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid
SMILESC[Si](C)(C)CCC/C(=C\C(=O)O)C(=O)O
InChIInChI=1S/C10H18O4Si/c1-15(2,3)6-4-5-8(10(13)14)7-9(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)/b8-7+
InChIKeyYFHRBFNQXCHTJA-BQYQJAHWSA-N
XLogP2.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid?
The IUPAC name of (E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid (CID 87533904) is (E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid.
What is the SMILES notation for (E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid?
The canonical SMILES for (E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid is C[Si](C)(C)CCC/C(=C\C(=O)O)C(=O)O.
What is the InChIKey of (E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid?
The InChIKey is YFHRBFNQXCHTJA-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H18O4Si/c1-15(2,3)6-4-5-8(10(13)14)7-9(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)/b8-7+.
What are the key properties of (E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid?
(E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid has a molecular weight of 230.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-trimethylsilylpropyl)but-2-enedioic acid is sourced from PubChem (CID 87533904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).