2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane

C18H32OSi — CID 135042235

IUPAC2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane
SMILESCCCCCC[C@H]1C/C=C\CCC(C#C[Si](C)(C)C)O1
InChIInChI=1S/C18H32OSi/c1-5-6-7-9-12-17-13-10-8-11-14-18(19-17)15-16-20(2,3)4/h8,10,17-18H,5-7,9,11-14H2,1-4H3/b10-8-/t17-,18?/m0/s1
InChIKeyVEZBBOQUMOQEMZ-LHSOKUBSSA-N
MW292.54 g/mol
LogP5.33
Rot. Bonds5

About 2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane

2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane (PubChem CID 135042235) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is 2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane
PubChem CID135042235
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane
SMILESCCCCCC[C@H]1C/C=C\CCC(C#C[Si](C)(C)C)O1
InChIInChI=1S/C18H32OSi/c1-5-6-7-9-12-17-13-10-8-11-14-18(19-17)15-16-20(2,3)4/h8,10,17-18H,5-7,9,11-14H2,1-4H3/b10-8-/t17-,18?/m0/s1
InChIKeyVEZBBOQUMOQEMZ-LHSOKUBSSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
2-[(2S,5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane
CID 49782438
2-[(7S)-7-hexyl-2,3,4,7-tetrahydrooxepin-2-yl]ethynyl-trimethylsilane
CID 135022516
3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane
CID 135022517
trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane
CID 135022785
Trimethyl(3-non-1-en-5-yloxyhept-6-en-1-ynyl)silane
CID 135022876
2-[(5Z)-9-butyl-2,3,4,7,8,9-hexahydrooxonin-2-yl]ethynyl-trimethylsilane
CID 135042397
3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane
CID 162412726
tert-butyl-[(3Z)-cycloundec-3-en-1-yl]oxy-dimethylsilane
CID 22177368
Tert-butyl-cycloundec-3-en-1-yloxy-dimethylsilane
CID 68819011
tert-butyl-[(3Z)-cyclododec-3-en-1-yl]oxy-dimethylsilane
CID 68820957
Tert-butyl-cyclododec-3-en-1-yloxy-dimethylsilane
CID 69625344

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane (CID 135042235) is 2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane is CCCCCC[C@H]1C/C=C\CCC(C#C[Si](C)(C)C)O1.
What is the InChIKey of 2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane?
The InChIKey is VEZBBOQUMOQEMZ-LHSOKUBSSA-N. The full InChI is InChI=1S/C18H32OSi/c1-5-6-7-9-12-17-13-10-8-11-14-18(19-17)15-16-20(2,3)4/h8,10,17-18H,5-7,9,11-14H2,1-4H3/b10-8-/t17-,18?/m0/s1.
What are the key properties of 2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane?
2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 135042235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).