(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid

C12H24O3Si — CID 6443166

IUPAC(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid
SMILESC/C(=C\C(=O)O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-10(9-11(13)14)7-8-15-16(5,6)12(2,3)4/h9H,7-8H2,1-6H3,(H,13,14)/b10-9+
InChIKeyURWJCLIEPLAGAG-MDZDMXLPSA-N
MW244.41 g/mol
LogP3.43
Rot. Bonds5

About (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid

(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid (PubChem CID 6443166) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid
PubChem CID6443166
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid
SMILESC/C(=C\C(=O)O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-10(9-11(13)14)7-8-15-16(5,6)12(2,3)4/h9H,7-8H2,1-6H3,(H,13,14)/b10-9+
InChIKeyURWJCLIEPLAGAG-MDZDMXLPSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.43
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'}

Analyze (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid?
The IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid (CID 6443166) is (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid.
What is the SMILES notation for (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid?
The canonical SMILES for (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid is C/C(=C\C(=O)O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid?
The InChIKey is URWJCLIEPLAGAG-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-10(9-11(13)14)7-8-15-16(5,6)12(2,3)4/h9H,7-8H2,1-6H3,(H,13,14)/b10-9+.
What are the key properties of (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid?
(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid has a molecular weight of 244.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoic acid is sourced from PubChem (CID 6443166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).