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

C24H48O2Si — CID 91710974

IUPAC[(2E)-3,7-dimethylocta-2,6-dienoxy]-dodecoxy-dimethylsilane
SMILESCCCCCCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-21-25-27(5,6)26-22-20-24(4)19-17-18-23(2)3/h18,20H,7-17,19,21-22H2,1-6H3/b24-20+
InChIKeyZHVRUKCPFJVDMU-HIXSDJFHSA-N
MW396.73 g/mol
LogP8.34
Rot. Bonds18

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

[(2E)-3,7-dimethylocta-2,6-dienoxy]-dodecoxy-dimethylsilane (PubChem CID 91710974) has the molecular formula C24H48O2Si and a molecular weight of 396.73 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienoxy]-dodecoxy-dimethylsilane.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-dodecoxy-dimethylsilane
PubChem CID91710974
Molecular FormulaC24H48O2Si
Molecular Weight396.73 g/mol
Exact Mass396.34
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienoxy]-dodecoxy-dimethylsilane
SMILESCCCCCCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-21-25-27(5,6)26-22-20-24(4)19-17-18-23(2)3/h18,20H,7-17,19,21-22H2,1-6H3/b24-20+
InChIKeyZHVRUKCPFJVDMU-HIXSDJFHSA-N
XLogP8.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.73
LogP ≤ 58.34
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)octyloxy-
CID 91694589
Silane, dimethyl(dec-4-enyloxy)nonyloxy-
CID 91694590
Silane, dimethyl(dec-4-enyloxy)undecyloxy-
CID 91694591
(9E,12Z)-Tetradeca-9,12-dien-1-ol trimethylsilyl ether
CID 91697185
bis([(2Z)-3,7-Dimethylocta-2,6-dien-1-yl]oxy)(dimethyl)silane
CID 91697237

Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dodecoxy-dimethylsilane?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dodecoxy-dimethylsilane (CID 91710974) is [(2E)-3,7-dimethylocta-2,6-dienoxy]-dodecoxy-dimethylsilane.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dodecoxy-dimethylsilane?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienoxy]-dodecoxy-dimethylsilane is CCCCCCCCCCCCO[Si](C)(C)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dodecoxy-dimethylsilane?
The InChIKey is ZHVRUKCPFJVDMU-HIXSDJFHSA-N. The full InChI is InChI=1S/C24H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-21-25-27(5,6)26-22-20-24(4)19-17-18-23(2)3/h18,20H,7-17,19,21-22H2,1-6H3/b24-20+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienoxy]-dodecoxy-dimethylsilane?
[(2E)-3,7-dimethylocta-2,6-dienoxy]-dodecoxy-dimethylsilane has a molecular weight of 396.73 g/mol, XLogP of 8.34, 18 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]-dodecoxy-dimethylsilane is sourced from PubChem (CID 91710974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).