[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane

C18H36O2Si — CID 91698238

IUPAC[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane
SMILESCC(C)=CCC/C(C)=C/CO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C18H36O2Si/c1-16(2)10-8-12-18(5)13-15-20-21(6,7)19-14-9-11-17(3)4/h10,13,17H,8-9,11-12,14-15H2,1-7H3/b18-13+
InChIKeyCZEQZXKVQYFEOQ-QGOAFFKASA-N
MW312.57 g/mol
LogP5.85
Rot. Bonds11

About [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane

[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane (PubChem CID 91698238) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane
PubChem CID91698238
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane
SMILESCC(C)=CCC/C(C)=C/CO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C18H36O2Si/c1-16(2)10-8-12-18(5)13-15-20-21(6,7)19-14-9-11-17(3)4/h10,13,17H,8-9,11-12,14-15H2,1-7H3/b18-13+
InChIKeyCZEQZXKVQYFEOQ-QGOAFFKASA-N
XLogP5.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane (CID 91698238) is [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane is CC(C)=CCC/C(C)=C/CO[Si](C)(C)OCCCC(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane?
The InChIKey is CZEQZXKVQYFEOQ-QGOAFFKASA-N. The full InChI is InChI=1S/C18H36O2Si/c1-16(2)10-8-12-18(5)13-15-20-21(6,7)19-14-9-11-17(3)4/h10,13,17H,8-9,11-12,14-15H2,1-7H3/b18-13+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane?
[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane has a molecular weight of 312.57 g/mol, XLogP of 5.85, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-(4-methylpentoxy)silane is sourced from PubChem (CID 91698238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).