tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane

C24H50OSi2 — CID 12007117

IUPACtert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane
SMILESCCCCC1=C([Si](CC)(CC)CC)CC(C)(C)C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H50OSi2/c1-12-16-17-20-18-22(25-26(10,11)23(5,6)7)24(8,9)19-21(20)27(13-2,14-3)15-4/h22H,12-19H2,1-11H3
InChIKeyOWOQTTXGVZDWRX-UHFFFAOYSA-N
MW410.84 g/mol
LogP8.73
Rot. Bonds9

About tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane

tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane (PubChem CID 12007117) has the molecular formula C24H50OSi2 and a molecular weight of 410.84 g/mol. Its IUPAC name is tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane
PubChem CID12007117
Molecular FormulaC24H50OSi2
Molecular Weight410.84 g/mol
Exact Mass410.34
IUPAC Nametert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane
SMILESCCCCC1=C([Si](CC)(CC)CC)CC(C)(C)C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H50OSi2/c1-12-16-17-20-18-22(25-26(10,11)23(5,6)7)24(8,9)19-21(20)27(13-2,14-3)15-4/h22H,12-19H2,1-11H3
InChIKeyOWOQTTXGVZDWRX-UHFFFAOYSA-N
XLogP8.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.84
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane (CID 12007117) is tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane is CCCCC1=C([Si](CC)(CC)CC)CC(C)(C)C(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane?
The InChIKey is OWOQTTXGVZDWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50OSi2/c1-12-16-17-20-18-22(25-26(10,11)23(5,6)7)24(8,9)19-21(20)27(13-2,14-3)15-4/h22H,12-19H2,1-11H3.
What are the key properties of tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane?
tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane has a molecular weight of 410.84 g/mol, XLogP of 8.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 12007117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).