[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane

C19H38OSi — CID 11472396

IUPAC[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane
SMILESCC(C)=CCC/C(C)=C/CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38OSi/c1-15(2)11-10-12-19(9)13-14-20-21(16(3)4,17(5)6)18(7)8/h11,13,16-18H,10,12,14H2,1-9H3/b19-13+
InChIKeyQJPJHVHWMAFAEU-CPNJWEJPSA-N
MW310.60 g/mol
LogP6.87
Rot. Bonds9

About [(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane

[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane (PubChem CID 11472396) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane
PubChem CID11472396
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane
SMILESCC(C)=CCC/C(C)=C/CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38OSi/c1-15(2)11-10-12-19(9)13-14-20-21(16(3)4,17(5)6)18(7)8/h11,13,16-18H,10,12,14H2,1-9H3/b19-13+
InChIKeyQJPJHVHWMAFAEU-CPNJWEJPSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
Geraniol, TMS derivative
CID 10998725
Nerol, trimethylsilyl ether
CID 11817006
cis-2-Penten-1-ol, tert-butyldimethylsilyl ether
CID 88150799
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
Silane, dimethyldi(trans-3,7-dimethyl-2,6-octadien-1-yloxy)-
CID 19045075
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
Ctk0J4668
CID 11106001
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
tert-butyl-dimethyl-[(E)-pent-2-enoxy]silane
CID 58205919
[(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane
CID 88814215

Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane (CID 11472396) is [(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane is CC(C)=CCC/C(C)=C/CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane?
The InChIKey is QJPJHVHWMAFAEU-CPNJWEJPSA-N. The full InChI is InChI=1S/C19H38OSi/c1-15(2)11-10-12-19(9)13-14-20-21(16(3)4,17(5)6)18(7)8/h11,13,16-18H,10,12,14H2,1-9H3/b19-13+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane?
[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 310.60 g/mol, XLogP of 6.87, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11472396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).