3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane

C21H38Si — CID 174858692

IUPAC3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane
SMILESCCCCCCCCC(C#C[Si](C)(C)C)=CC1CCCCC1
InChIInChI=1S/C21H38Si/c1-5-6-7-8-9-11-16-21(17-18-22(2,3)4)19-20-14-12-10-13-15-20/h19-20H,5-16H2,1-4H3
InChIKeyALIWOHPVAHXYMH-UHFFFAOYSA-N
MW318.62 g/mol
LogP7.12
Rot. Bonds8

About 3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane

3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane (PubChem CID 174858692) has the molecular formula C21H38Si and a molecular weight of 318.62 g/mol. Its IUPAC name is 3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane
PubChem CID174858692
Molecular FormulaC21H38Si
Molecular Weight318.62 g/mol
Exact Mass318.27
IUPAC Name3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane
SMILESCCCCCCCCC(C#C[Si](C)(C)C)=CC1CCCCC1
InChIInChI=1S/C21H38Si/c1-5-6-7-8-9-11-16-21(17-18-22(2,3)4)19-20-14-12-10-13-15-20/h19-20H,5-16H2,1-4H3
InChIKeyALIWOHPVAHXYMH-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.62
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane?
The IUPAC name of 3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane (CID 174858692) is 3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane?
The canonical SMILES for 3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane is CCCCCCCCC(C#C[Si](C)(C)C)=CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane?
The InChIKey is ALIWOHPVAHXYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38Si/c1-5-6-7-8-9-11-16-21(17-18-22(2,3)4)19-20-14-12-10-13-15-20/h19-20H,5-16H2,1-4H3.
What are the key properties of 3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane?
3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane has a molecular weight of 318.62 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylidene)undec-1-ynyl-trimethylsilane is sourced from PubChem (CID 174858692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).