8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane

C38H68O3Si — CID 173099908

IUPAC8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane
SMILESCC(C)=CCCC(C)=CCOC(CCCCCCC[SiH3])(OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C
InChIInChI=1S/C38H68O3Si/c1-32(2)18-15-21-35(7)24-28-39-38(27-13-11-10-12-14-31-42,40-29-25-36(8)22-16-19-33(3)4)41-30-26-37(9)23-17-20-34(5)6/h18-20,24-26H,10-17,21-23,27-31H2,1-9,42H3
InChIKeyCBWXYYYLXPYUCK-UHFFFAOYSA-N
MW601.05 g/mol
LogP10.89
Rot. Bonds25

About 8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane

8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane (PubChem CID 173099908) has the molecular formula C38H68O3Si and a molecular weight of 601.05 g/mol. Its IUPAC name is 8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane.

Molecular Properties

Compound Name8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane
PubChem CID173099908
Molecular FormulaC38H68O3Si
Molecular Weight601.05 g/mol
Exact Mass600.49
IUPAC Name8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane
SMILESCC(C)=CCCC(C)=CCOC(CCCCCCC[SiH3])(OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C
InChIInChI=1S/C38H68O3Si/c1-32(2)18-15-21-35(7)24-28-39-38(27-13-11-10-12-14-31-42,40-29-25-36(8)22-16-19-33(3)4)41-30-26-37(9)23-17-20-34(5)6/h18-20,24-26H,10-17,21-23,27-31H2,1-9,42H3
InChIKeyCBWXYYYLXPYUCK-UHFFFAOYSA-N
XLogP10.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.05
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane?
The IUPAC name of 8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane (CID 173099908) is 8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane.
What is the SMILES notation for 8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane?
The canonical SMILES for 8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane is CC(C)=CCCC(C)=CCOC(CCCCCCC[SiH3])(OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C.
What is the InChIKey of 8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane?
The InChIKey is CBWXYYYLXPYUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H68O3Si/c1-32(2)18-15-21-35(7)24-28-39-38(27-13-11-10-12-14-31-42,40-29-25-36(8)22-16-19-33(3)4)41-30-26-37(9)23-17-20-34(5)6/h18-20,24-26H,10-17,21-23,27-31H2,1-9,42H3.
What are the key properties of 8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane?
8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane has a molecular weight of 601.05 g/mol, XLogP of 10.89, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-tris(3,7-dimethylocta-2,6-dienoxy)octylsilane is sourced from PubChem (CID 173099908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).