methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate

C13H26O3Si — CID 72741311

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

About methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate

methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate (PubChem CID 72741311) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
PubChem CID72741311
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
SMILESC=CCC(CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-8-9-11(10-12(14)15-5)16-17(6,7)13(2,3)4/h8,11H,1,9-10H2,2-7H3
InChIKeyHLAIGQGXQXPMGT-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 methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-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 methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate (CID 72741311) is methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate is C=CCC(CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The InChIKey is HLAIGQGXQXPMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-8-9-11(10-12(14)15-5)16-17(6,7)13(2,3)4/h8,11H,1,9-10H2,2-7H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-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 methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate is sourced from PubChem (CID 72741311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).