[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane

C20H40O2Si — CID 91697248

IUPAC[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane
SMILESCCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H40O2Si/c1-7-8-9-10-11-12-17-21-23(5,6)22-18-16-20(4)15-13-14-19(2)3/h14,16H,7-13,15,17-18H2,1-6H3/b20-16+
InChIKeyVCTJVVUNWHVNTG-CAPFRKAQSA-N
MW340.62 g/mol
LogP6.77
Rot. Bonds14

About [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane

[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane (PubChem CID 91697248) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane
PubChem CID91697248
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane
SMILESCCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H40O2Si/c1-7-8-9-10-11-12-17-21-23(5,6)22-18-16-20(4)15-13-14-19(2)3/h14,16H,7-13,15,17-18H2,1-6H3/b20-16+
InChIKeyVCTJVVUNWHVNTG-CAPFRKAQSA-N
XLogP6.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.77
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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Related Compounds

dimethyl-(3-methylbut-2-enoxy)-octoxysilane
CID 91739054
1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
CID 72752481
(2E)-3,7-dimethylocta-2,6-dien-1-ol;1-hexoxyhexane
CID 174942074
2,6-dimethyltetradeca-2,6-diene
CID 57189781
10-O-[(2E)-3,7-dimethylocta-2,6-dienyl] 1-O-octyl decanedioate
CID 91695258
hexoxy-dimethyl-nonoxysilane
CID 91741085
[(E)-but-2-enoxy]-dimethyl-octoxysilane
CID 91697268
[(2E)-3,7-dimethylocta-2,6-dienyl] dodecanoate
CID 6114709
3,7-dimethylocta-2,6-dienyl pentadecanoate
CID 173120607
(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene
CID 6437124
1-O-pentyl 4-O-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] butanedioate
CID 118506626
hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane
CID 91743719

Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane (CID 91697248) is [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane is CCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane?
The InChIKey is VCTJVVUNWHVNTG-CAPFRKAQSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-7-8-9-10-11-12-17-21-23(5,6)22-18-16-20(4)15-13-14-19(2)3/h14,16H,7-13,15,17-18H2,1-6H3/b20-16+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane?
[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane has a molecular weight of 340.62 g/mol, XLogP of 6.77, 14 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-octoxysilane is sourced from PubChem (CID 91697248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).