prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate

C16H28O3Si — CID 11975157

IUPACprop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate
SMILESC=CCOC(=O)OC(C#CC[Si](C)(C)C)CCCCC
InChIInChI=1S/C16H28O3Si/c1-6-8-9-11-15(12-10-14-20(3,4)5)19-16(17)18-13-7-2/h7,15H,2,6,8-9,11,13-14H2,1,3-5H3
InChIKeyGSOCOKLDVMXURQ-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.62
Rot. Bonds8

About prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate

prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate (PubChem CID 11975157) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate.

Molecular Properties

Compound Nameprop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate
PubChem CID11975157
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Nameprop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate
SMILESC=CCOC(=O)OC(C#CC[Si](C)(C)C)CCCCC
InChIInChI=1S/C16H28O3Si/c1-6-8-9-11-15(12-10-14-20(3,4)5)19-16(17)18-13-7-2/h7,15H,2,6,8-9,11,13-14H2,1,3-5H3
InChIKeyGSOCOKLDVMXURQ-UHFFFAOYSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate 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 prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate?
The IUPAC name of prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate (CID 11975157) is prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate.
What is the SMILES notation for prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate?
The canonical SMILES for prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate is C=CCOC(=O)OC(C#CC[Si](C)(C)C)CCCCC.
What is the InChIKey of prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate?
The InChIKey is GSOCOKLDVMXURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-6-8-9-11-15(12-10-14-20(3,4)5)19-16(17)18-13-7-2/h7,15H,2,6,8-9,11,13-14H2,1,3-5H3.
What are the key properties of prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate?
prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate has a molecular weight of 296.48 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate is sourced from PubChem (CID 11975157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).