methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate

C19H32O3Si — CID 10593001

IUPACmethyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate
SMILESC=CCCC(C#CC(=O)OC)(CCC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C19H32O3Si/c1-7-12-15-19(16-13-8-2,17-14-18(20)21-6)22-23(9-3,10-4)11-5/h7-8H,1-2,9-13,15-16H2,3-6H3
InChIKeyFTHBJPASOVZRRH-UHFFFAOYSA-N
MW336.55 g/mol
LogP4.86
Rot. Bonds11

About methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate

methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate (PubChem CID 10593001) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate.

Molecular Properties

Compound Namemethyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate
PubChem CID10593001
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Namemethyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate
SMILESC=CCCC(C#CC(=O)OC)(CCC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C19H32O3Si/c1-7-12-15-19(16-13-8-2,17-14-18(20)21-6)22-23(9-3,10-4)11-5/h7-8H,1-2,9-13,15-16H2,3-6H3
InChIKeyFTHBJPASOVZRRH-UHFFFAOYSA-N
XLogP4.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.86
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'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-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 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate?
The IUPAC name of methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate (CID 10593001) is methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate.
What is the SMILES notation for methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate?
The canonical SMILES for methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate is C=CCCC(C#CC(=O)OC)(CCC=C)O[Si](CC)(CC)CC.
What is the InChIKey of methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate?
The InChIKey is FTHBJPASOVZRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-7-12-15-19(16-13-8-2,17-14-18(20)21-6)22-23(9-3,10-4)11-5/h7-8H,1-2,9-13,15-16H2,3-6H3.
What are the key properties of methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate?
methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate has a molecular weight of 336.55 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate is sourced from PubChem (CID 10593001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).