[(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane

C18H36O2Si — CID 91697249

IUPAC[(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane
SMILESCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-15-19-21(5,6)20-16-14-18(4)13-11-12-17(2)3/h12,14H,7-11,13,15-16H2,1-6H3/b18-14+
InChIKeyPJKUUVFCQDVQME-NBVRZTHBSA-N
MW312.57 g/mol
LogP5.99
Rot. Bonds12

About [(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane

[(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane (PubChem CID 91697249) 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]-hexoxy-dimethylsilane.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane
PubChem CID91697249
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane
SMILESCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-15-19-21(5,6)20-16-14-18(4)13-11-12-17(2)3/h12,14H,7-11,13,15-16H2,1-6H3/b18-14+
InChIKeyPJKUUVFCQDVQME-NBVRZTHBSA-N
XLogP5.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.99
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

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
Silane, dimethyldi(trans-3,7-dimethyl-2,6-octadien-1-yloxy)-
CID 19045075
trans, trans-Farnesol, trimethylsilyl ether
CID 5365996
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251
Silane, dimethyl(dec-4-enyloxy)pentyloxy-
CID 91694497
Silane, dimethyl(dec-4-enyloxy)heptyloxy-
CID 91694498
Silane, dimethyl(dec-4-enyloxy)hexyloxy-
CID 91694588
Dimethyl(bis([(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy))silane
CID 91694866
bis([(2Z)-3,7-Dimethylocta-2,6-dien-1-yl]oxy)(dimethyl)silane
CID 91697237
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)heptyloxy-
CID 91697247

Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane (CID 91697249) is [(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane is CCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane?
The InChIKey is PJKUUVFCQDVQME-NBVRZTHBSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-8-9-10-15-19-21(5,6)20-16-14-18(4)13-11-12-17(2)3/h12,14H,7-11,13,15-16H2,1-6H3/b18-14+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane?
[(2E)-3,7-dimethylocta-2,6-dienoxy]-hexoxy-dimethylsilane has a molecular weight of 312.57 g/mol, XLogP of 5.99, 12 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]-hexoxy-dimethylsilane is sourced from PubChem (CID 91697249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).