methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate

C14H26O3Si — CID 10516228

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate
SMILESC#CC(CCCC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-8-12(10-9-11-13(15)16-5)17-18(6,7)14(2,3)4/h1,12H,9-11H2,2-7H3
InChIKeyAZOAIZOTNGTVSA-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.35
Rot. Bonds6

About methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate

methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate (PubChem CID 10516228) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate
PubChem CID10516228
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate
SMILESC#CC(CCCC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-8-12(10-9-11-13(15)16-5)17-18(6,7)14(2,3)4/h1,12H,9-11H2,2-7H3
InChIKeyAZOAIZOTNGTVSA-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate 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 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate (CID 10516228) is methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate is C#CC(CCCC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate?
The InChIKey is AZOAIZOTNGTVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-8-12(10-9-11-13(15)16-5)17-18(6,7)14(2,3)4/h1,12H,9-11H2,2-7H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate?
methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate has a molecular weight of 270.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate is sourced from PubChem (CID 10516228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).