trimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane

C20H40OSi — CID 611059

IUPACtrimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane
SMILESCCCCCCCCC1(C)C=C(O[Si](C)(C)C)CC(C)(C)C1
InChIInChI=1S/C20H40OSi/c1-8-9-10-11-12-13-14-20(4)16-18(21-22(5,6)7)15-19(2,3)17-20/h16H,8-15,17H2,1-7H3
InChIKeyQMZPORYWONWZIQ-UHFFFAOYSA-N
MW324.63 g/mol
LogP7.30
Rot. Bonds9

About trimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane

trimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane (PubChem CID 611059) has the molecular formula C20H40OSi and a molecular weight of 324.63 g/mol. Its IUPAC name is trimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane.

Molecular Properties

Compound Nametrimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane
PubChem CID611059
Molecular FormulaC20H40OSi
Molecular Weight324.63 g/mol
Exact Mass324.28
IUPAC Nametrimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane
SMILESCCCCCCCCC1(C)C=C(O[Si](C)(C)C)CC(C)(C)C1
InChIInChI=1S/C20H40OSi/c1-8-9-10-11-12-13-14-20(4)16-18(21-22(5,6)7)15-19(2,3)17-20/h16H,8-15,17H2,1-7H3
InChIKeyQMZPORYWONWZIQ-UHFFFAOYSA-N
XLogP7.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.63
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane?
The IUPAC name of trimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane (CID 611059) is trimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane.
What is the SMILES notation for trimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane?
The canonical SMILES for trimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane is CCCCCCCCC1(C)C=C(O[Si](C)(C)C)CC(C)(C)C1.
What is the InChIKey of trimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane?
The InChIKey is QMZPORYWONWZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40OSi/c1-8-9-10-11-12-13-14-20(4)16-18(21-22(5,6)7)15-19(2,3)17-20/h16H,8-15,17H2,1-7H3.
What are the key properties of trimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane?
trimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane has a molecular weight of 324.63 g/mol, XLogP of 7.30, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3,5,5-trimethyl-3-octylcyclohexen-1-yl)oxysilane is sourced from PubChem (CID 611059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).