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

C19H38O2Si — CID 91697247

IUPAC[(2E)-3,7-dimethylocta-2,6-dienoxy]-heptoxy-dimethylsilane
SMILESCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C19H38O2Si/c1-7-8-9-10-11-16-20-22(5,6)21-17-15-19(4)14-12-13-18(2)3/h13,15H,7-12,14,16-17H2,1-6H3/b19-15+
InChIKeyAPYCUZMXGRSGSC-XDJHFCHBSA-N
MW326.60 g/mol
LogP6.38
Rot. Bonds13

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

[(2E)-3,7-dimethylocta-2,6-dienoxy]-heptoxy-dimethylsilane (PubChem CID 91697247) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienoxy]-heptoxy-dimethylsilane.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-heptoxy-dimethylsilane
PubChem CID91697247
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-heptoxy-dimethylsilane
SMILESCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C19H38O2Si/c1-7-8-9-10-11-16-20-22(5,6)21-17-15-19(4)14-12-13-18(2)3/h13,15H,7-12,14,16-17H2,1-6H3/b19-15+
InChIKeyAPYCUZMXGRSGSC-XDJHFCHBSA-N
XLogP6.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.38
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

Octadec-9Z-enol trimethylsilyl ether
CID 5366884
Silane, dimethyldi(trans-3,7-dimethyl-2,6-octadien-1-yloxy)-
CID 19045075
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Linoleyl alcohol tms ether
CID 15635192
cis-9-octadecenol, tBDMS
CID 6430273
Silane, dimethyl(dec-4-enyloxy)heptyloxy-
CID 91694498
Silane, dimethyl(dec-4-enyloxy)decyloxy-
CID 91694499
Silane, dimethyl(dec-4-enyloxy)hexyloxy-
CID 91694588
Silane, dimethyl(dec-4-enyloxy)octyloxy-
CID 91694589
Silane, dimethyl(dec-4-enyloxy)nonyloxy-
CID 91694590
Silane, dimethyl(dec-4-enyloxy)undecyloxy-
CID 91694591
Dimethyl(bis([(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy))silane
CID 91694866

Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-heptoxy-dimethylsilane?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-heptoxy-dimethylsilane (CID 91697247) is [(2E)-3,7-dimethylocta-2,6-dienoxy]-heptoxy-dimethylsilane.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienoxy]-heptoxy-dimethylsilane?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienoxy]-heptoxy-dimethylsilane is CCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienoxy]-heptoxy-dimethylsilane?
The InChIKey is APYCUZMXGRSGSC-XDJHFCHBSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-7-8-9-10-11-16-20-22(5,6)21-17-15-19(4)14-12-13-18(2)3/h13,15H,7-12,14,16-17H2,1-6H3/b19-15+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienoxy]-heptoxy-dimethylsilane?
[(2E)-3,7-dimethylocta-2,6-dienoxy]-heptoxy-dimethylsilane has a molecular weight of 326.60 g/mol, XLogP of 6.38, 13 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]-heptoxy-dimethylsilane is sourced from PubChem (CID 91697247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).