2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid

C13H26O3Si2 — CID 67708537

IUPAC2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid
SMILESCC(C(=O)O)=C(C)[Si]1(C)CCC(C)(C)O[Si]1(C)C
InChIInChI=1S/C13H26O3Si2/c1-10(12(14)15)11(2)18(7)9-8-13(3,4)16-17(18,5)6/h8-9H2,1-7H3,(H,14,15)
InChIKeyJWSXMLMDDZWSDB-UHFFFAOYSA-N
MW286.52 g/mol
LogP3.51
Rot. Bonds2

About 2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid

2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid (PubChem CID 67708537) has the molecular formula C13H26O3Si2 and a molecular weight of 286.52 g/mol. Its IUPAC name is 2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid.

Molecular Properties

Compound Name2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid
PubChem CID67708537
Molecular FormulaC13H26O3Si2
Molecular Weight286.52 g/mol
Exact Mass286.14
IUPAC Name2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid
SMILESCC(C(=O)O)=C(C)[Si]1(C)CCC(C)(C)O[Si]1(C)C
InChIInChI=1S/C13H26O3Si2/c1-10(12(14)15)11(2)18(7)9-8-13(3,4)16-17(18,5)6/h8-9H2,1-7H3,(H,14,15)
InChIKeyJWSXMLMDDZWSDB-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
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 2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid?
The IUPAC name of 2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid (CID 67708537) is 2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid.
What is the SMILES notation for 2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid?
The canonical SMILES for 2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid is CC(C(=O)O)=C(C)[Si]1(C)CCC(C)(C)O[Si]1(C)C.
What is the InChIKey of 2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid?
The InChIKey is JWSXMLMDDZWSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si2/c1-10(12(14)15)11(2)18(7)9-8-13(3,4)16-17(18,5)6/h8-9H2,1-7H3,(H,14,15).
What are the key properties of 2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid?
2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid has a molecular weight of 286.52 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)but-2-enoic acid is sourced from PubChem (CID 67708537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).