(3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane

C16H32OSi — CID 611061

IUPAC(3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane
SMILESCCCCC1(C)C=C(O[Si](C)(C)C)CC(C)(C)C1
InChIInChI=1S/C16H32OSi/c1-8-9-10-16(4)12-14(17-18(5,6)7)11-15(2,3)13-16/h12H,8-11,13H2,1-7H3
InChIKeyKJSJJJBPRRHBDH-UHFFFAOYSA-N
MW268.52 g/mol
LogP5.74
Rot. Bonds5

About (3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane

(3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane (PubChem CID 611061) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is (3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane
PubChem CID611061
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name(3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane
SMILESCCCCC1(C)C=C(O[Si](C)(C)C)CC(C)(C)C1
InChIInChI=1S/C16H32OSi/c1-8-9-10-16(4)12-14(17-18(5,6)7)11-15(2,3)13-16/h12H,8-11,13H2,1-7H3
InChIKeyKJSJJJBPRRHBDH-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.74
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 (3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane?
The IUPAC name of (3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane (CID 611061) is (3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane?
The canonical SMILES for (3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane is CCCCC1(C)C=C(O[Si](C)(C)C)CC(C)(C)C1.
What is the InChIKey of (3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane?
The InChIKey is KJSJJJBPRRHBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OSi/c1-8-9-10-16(4)12-14(17-18(5,6)7)11-15(2,3)13-16/h12H,8-11,13H2,1-7H3.
What are the key properties of (3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane?
(3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane has a molecular weight of 268.52 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 611061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).