methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane

C28H48O3Si — CID 69441986

IUPACmethyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane
SMILESCC1=CC(O[Si](C)(OC2C=C(C)CC(C)(C)C2)OC2C=C(C)CC(C)(C)C2)CC(C)(C)C1
InChIInChI=1S/C28H48O3Si/c1-20-11-23(17-26(4,5)14-20)29-32(10,30-24-12-21(2)15-27(6,7)18-24)31-25-13-22(3)16-28(8,9)19-25/h11-13,23-25H,14-19H2,1-10H3
InChIKeyOCFCEJXVLXJJSN-UHFFFAOYSA-N
MW460.78 g/mol
LogP8.01
Rot. Bonds6

About methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane

methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane (PubChem CID 69441986) has the molecular formula C28H48O3Si and a molecular weight of 460.78 g/mol. Its IUPAC name is methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane.

Molecular Properties

Compound Namemethyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane
PubChem CID69441986
Molecular FormulaC28H48O3Si
Molecular Weight460.78 g/mol
Exact Mass460.34
IUPAC Namemethyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane
SMILESCC1=CC(O[Si](C)(OC2C=C(C)CC(C)(C)C2)OC2C=C(C)CC(C)(C)C2)CC(C)(C)C1
InChIInChI=1S/C28H48O3Si/c1-20-11-23(17-26(4,5)14-20)29-32(10,30-24-12-21(2)15-27(6,7)18-24)31-25-13-22(3)16-28(8,9)19-25/h11-13,23-25H,14-19H2,1-10H3
InChIKeyOCFCEJXVLXJJSN-UHFFFAOYSA-N
XLogP8.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.78
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane?
The IUPAC name of methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane (CID 69441986) is methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane.
What is the SMILES notation for methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane?
The canonical SMILES for methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane is CC1=CC(O[Si](C)(OC2C=C(C)CC(C)(C)C2)OC2C=C(C)CC(C)(C)C2)CC(C)(C)C1.
What is the InChIKey of methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane?
The InChIKey is OCFCEJXVLXJJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48O3Si/c1-20-11-23(17-26(4,5)14-20)29-32(10,30-24-12-21(2)15-27(6,7)18-24)31-25-13-22(3)16-28(8,9)19-25/h11-13,23-25H,14-19H2,1-10H3.
What are the key properties of methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane?
methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane has a molecular weight of 460.78 g/mol, XLogP of 8.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane is sourced from PubChem (CID 69441986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).