(E)-2-methyl-4-triethoxysilylhex-2-enoic acid

C13H26O5Si — CID 18388514

IUPAC(E)-2-methyl-4-triethoxysilylhex-2-enoic acid
SMILESCCO[Si](OCC)(OCC)C(/C=C(\C)C(=O)O)CC
InChIInChI=1S/C13H26O5Si/c1-6-12(10-11(5)13(14)15)19(16-7-2,17-8-3)18-9-4/h10,12H,6-9H2,1-5H3,(H,14,15)/b11-10+
InChIKeyUYPITVLQGZYQRS-ZHACJKMWSA-N
MW290.43 g/mol
LogP2.85
Rot. Bonds10

About (E)-2-methyl-4-triethoxysilylhex-2-enoic acid

(E)-2-methyl-4-triethoxysilylhex-2-enoic acid (PubChem CID 18388514) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is (E)-2-methyl-4-triethoxysilylhex-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-4-triethoxysilylhex-2-enoic acid
PubChem CID18388514
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(E)-2-methyl-4-triethoxysilylhex-2-enoic acid
SMILESCCO[Si](OCC)(OCC)C(/C=C(\C)C(=O)O)CC
InChIInChI=1S/C13H26O5Si/c1-6-12(10-11(5)13(14)15)19(16-7-2,17-8-3)18-9-4/h10,12H,6-9H2,1-5H3,(H,14,15)/b11-10+
InChIKeyUYPITVLQGZYQRS-ZHACJKMWSA-N
XLogP2.85
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
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 (E)-2-methyl-4-triethoxysilylhex-2-enoic acid?
The IUPAC name of (E)-2-methyl-4-triethoxysilylhex-2-enoic acid (CID 18388514) is (E)-2-methyl-4-triethoxysilylhex-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-4-triethoxysilylhex-2-enoic acid?
The canonical SMILES for (E)-2-methyl-4-triethoxysilylhex-2-enoic acid is CCO[Si](OCC)(OCC)C(/C=C(\C)C(=O)O)CC.
What is the InChIKey of (E)-2-methyl-4-triethoxysilylhex-2-enoic acid?
The InChIKey is UYPITVLQGZYQRS-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-6-12(10-11(5)13(14)15)19(16-7-2,17-8-3)18-9-4/h10,12H,6-9H2,1-5H3,(H,14,15)/b11-10+.
What are the key properties of (E)-2-methyl-4-triethoxysilylhex-2-enoic acid?
(E)-2-methyl-4-triethoxysilylhex-2-enoic acid has a molecular weight of 290.43 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-triethoxysilylhex-2-enoic acid is sourced from PubChem (CID 18388514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).