ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

C13H26O3Si — CID 73193423

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=CC(CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-8-11(10-12(14)15-9-2)16-17(6,7)13(3,4)5/h8,11H,1,9-10H2,2-7H3
InChIKeyZEJBQMLUFNIAKH-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds6

About ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (PubChem CID 73193423) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
PubChem CID73193423
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=CC(CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-8-11(10-12(14)15-9-2)16-17(6,7)13(3,4)5/h8,11H,1,9-10H2,2-7H3
InChIKeyZEJBQMLUFNIAKH-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-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 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (CID 73193423) is ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is C=CC(CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The InChIKey is ZEJBQMLUFNIAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-8-11(10-12(14)15-9-2)16-17(6,7)13(3,4)5/h8,11H,1,9-10H2,2-7H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is sourced from PubChem (CID 73193423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).