(3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane

C14H28OSi — CID 602954

IUPAC(3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane
SMILESCCCCC1(C)C=C(O[Si](C)(C)C)CCC1
InChIInChI=1S/C14H28OSi/c1-6-7-10-14(2)11-8-9-13(12-14)15-16(3,4)5/h12H,6-11H2,1-5H3
InChIKeyQGKHGHWSEAHGES-UHFFFAOYSA-N
MW240.46 g/mol
LogP5.10
Rot. Bonds5

About (3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane

(3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane (PubChem CID 602954) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is (3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane
PubChem CID602954
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name(3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane
SMILESCCCCC1(C)C=C(O[Si](C)(C)C)CCC1
InChIInChI=1S/C14H28OSi/c1-6-7-10-14(2)11-8-9-13(12-14)15-16(3,4)5/h12H,6-11H2,1-5H3
InChIKeyQGKHGHWSEAHGES-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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 (3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane?
The IUPAC name of (3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane (CID 602954) is (3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane?
The canonical SMILES for (3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane is CCCCC1(C)C=C(O[Si](C)(C)C)CCC1.
What is the InChIKey of (3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane?
The InChIKey is QGKHGHWSEAHGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-6-7-10-14(2)11-8-9-13(12-14)15-16(3,4)5/h12H,6-11H2,1-5H3.
What are the key properties of (3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane?
(3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane has a molecular weight of 240.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 602954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).