2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane

C17H30OSi — CID 135042397

IUPAC2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane
SMILESCCCCC1CC/C=C\CCC(C#C[Si](C)(C)C)O1
InChIInChI=1S/C17H30OSi/c1-5-6-11-16-12-9-7-8-10-13-17(18-16)14-15-19(2,3)4/h7-8,16-17H,5-6,9-13H2,1-4H3/b8-7-
InChIKeyJZJCTVBQESQIPM-FPLPWBNLSA-N
MW278.51 g/mol
LogP4.94
Rot. Bonds3

About 2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane

2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane (PubChem CID 135042397) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is 2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane
PubChem CID135042397
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane
SMILESCCCCC1CC/C=C\CCC(C#C[Si](C)(C)C)O1
InChIInChI=1S/C17H30OSi/c1-5-6-11-16-12-9-7-8-10-13-17(18-16)14-15-19(2,3)4/h7-8,16-17H,5-6,9-13H2,1-4H3/b8-7-
InChIKeyJZJCTVBQESQIPM-FPLPWBNLSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane with MolForge

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Related Compounds

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2-methyl-5-octadecyloxolane
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(4Z)-2-butyl-2,3,6,7-tetrahydrooxocin-8-one
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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane (CID 135042397) is 2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane is CCCCC1CC/C=C\CCC(C#C[Si](C)(C)C)O1.
What is the InChIKey of 2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane?
The InChIKey is JZJCTVBQESQIPM-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H30OSi/c1-5-6-11-16-12-9-7-8-10-13-17(18-16)14-15-19(2,3)4/h7-8,16-17H,5-6,9-13H2,1-4H3/b8-7-.
What are the key properties of 2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane?
2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 135042397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).