tert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane

C14H28OSi — CID 140723746

IUPACtert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)CCC(C)C1
InChIInChI=1S/C14H28OSi/c1-11-8-9-13(12(2)10-11)15-16(6,7)14(3,4)5/h11H,8-10H2,1-7H3
InChIKeySHRXJCUIVQLXQI-UHFFFAOYSA-N
MW240.46 g/mol
LogP5.10
Rot. Bonds2

About tert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane

tert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane (PubChem CID 140723746) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is tert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane
PubChem CID140723746
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Nametert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)CCC(C)C1
InChIInChI=1S/C14H28OSi/c1-11-8-9-13(12(2)10-11)15-16(6,7)14(3,4)5/h11H,8-10H2,1-7H3
InChIKeySHRXJCUIVQLXQI-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.46
LogP ≤ 55.10
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-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane (CID 140723746) is tert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane is CC1=C(O[Si](C)(C)C(C)(C)C)CCC(C)C1.
What is the InChIKey of tert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane?
The InChIKey is SHRXJCUIVQLXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-11-8-9-13(12(2)10-11)15-16(6,7)14(3,4)5/h11H,8-10H2,1-7H3.
What are the key properties of tert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane?
tert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane has a molecular weight of 240.46 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 140723746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).