[1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane

C19H34OSi — CID 10852218

IUPAC[1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1(C#CC(C)(C)C)CCC=CCC1
InChIInChI=1S/C19H34OSi/c1-7-21(8-2,9-3)20-19(17-16-18(4,5)6)14-12-10-11-13-15-19/h10-11H,7-9,12-15H2,1-6H3
InChIKeyZGIHLSOIQIWGCP-UHFFFAOYSA-N
MW306.57 g/mol
LogP5.93
Rot. Bonds5

About [1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane

[1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane (PubChem CID 10852218) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is [1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane
PubChem CID10852218
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name[1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1(C#CC(C)(C)C)CCC=CCC1
InChIInChI=1S/C19H34OSi/c1-7-21(8-2,9-3)20-19(17-16-18(4,5)6)14-12-10-11-13-15-19/h10-11H,7-9,12-15H2,1-6H3
InChIKeyZGIHLSOIQIWGCP-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 55.93
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'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane?
The IUPAC name of [1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane (CID 10852218) is [1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane.
What is the SMILES notation for [1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane?
The canonical SMILES for [1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC1(C#CC(C)(C)C)CCC=CCC1.
What is the InChIKey of [1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane?
The InChIKey is ZGIHLSOIQIWGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34OSi/c1-7-21(8-2,9-3)20-19(17-16-18(4,5)6)14-12-10-11-13-15-19/h10-11H,7-9,12-15H2,1-6H3.
What are the key properties of [1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane?
[1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane has a molecular weight of 306.57 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethylbut-1-ynyl)cyclohept-4-en-1-yl]oxy-triethylsilane is sourced from PubChem (CID 10852218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).