ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate

C14H28O3Si — CID 24755951

IUPACethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-8-16-13(15)10-9-12(2)11-17-18(6,7)14(3,4)5/h9-10,12H,8,11H2,1-7H3/b10-9+/t12-/m1/s1
InChIKeyBETLFGAMGSKDHU-BZYZDCJZSA-N
MW272.46 g/mol
LogP3.76
Rot. Bonds6

About ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate

ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate (PubChem CID 24755951) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate
PubChem CID24755951
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-8-16-13(15)10-9-12(2)11-17-18(6,7)14(3,4)5/h9-10,12H,8,11H2,1-7H3/b10-9+/t12-/m1/s1
InChIKeyBETLFGAMGSKDHU-BZYZDCJZSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate 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 ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate?
The IUPAC name of ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate (CID 24755951) is ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate.
What is the SMILES notation for ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate?
The canonical SMILES for ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate is CCOC(=O)/C=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate?
The InChIKey is BETLFGAMGSKDHU-BZYZDCJZSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-8-16-13(15)10-9-12(2)11-17-18(6,7)14(3,4)5/h9-10,12H,8,11H2,1-7H3/b10-9+/t12-/m1/s1.
What are the key properties of ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate?
ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate is sourced from PubChem (CID 24755951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).