ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate

C19H28O3Si — CID 101342113

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate
SMILESC#CC(C#CC(=O)OCC)(CC(C)=C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H28O3Si/c1-10-16(4)15-19(11-2,14-13-17(20)21-12-3)22-23(8,9)18(5,6)7/h2H,1,12,15H2,3-9H3
InChIKeySVMOGKRATVLCFE-UHFFFAOYSA-N
MW332.52 g/mol
LogP4.07
Rot. Bonds5

About ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate (PubChem CID 101342113) has the molecular formula C19H28O3Si and a molecular weight of 332.52 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate
PubChem CID101342113
Molecular FormulaC19H28O3Si
Molecular Weight332.52 g/mol
Exact Mass332.18
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate
SMILESC#CC(C#CC(=O)OCC)(CC(C)=C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H28O3Si/c1-10-16(4)15-19(11-2,14-13-17(20)21-12-3)22-23(8,9)18(5,6)7/h2H,1,12,15H2,3-9H3
InChIKeySVMOGKRATVLCFE-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate (CID 101342113) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate is C#CC(C#CC(=O)OCC)(CC(C)=C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate?
The InChIKey is SVMOGKRATVLCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3Si/c1-10-16(4)15-19(11-2,14-13-17(20)21-12-3)22-23(8,9)18(5,6)7/h2H,1,12,15H2,3-9H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate has a molecular weight of 332.52 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-6-methylocta-6,7-dien-2-ynoate is sourced from PubChem (CID 101342113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).