dimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane

C18H38O2Si — CID 91739055

IUPACdimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane
SMILESCCCC/C=C/C(C)O[Si](C)(C)OCCCCCCCC
InChIInChI=1S/C18H38O2Si/c1-6-8-10-12-13-15-17-19-21(4,5)20-18(3)16-14-11-9-7-2/h14,16,18H,6-13,15,17H2,1-5H3/b16-14+
InChIKeyONMQUIMKROIQRT-JQIJEIRASA-N
MW314.59 g/mol
LogP6.22
Rot. Bonds14

About dimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane

dimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane (PubChem CID 91739055) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is dimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane.

Molecular Properties

Compound Namedimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane
PubChem CID91739055
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Namedimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane
SMILESCCCC/C=C/C(C)O[Si](C)(C)OCCCCCCCC
InChIInChI=1S/C18H38O2Si/c1-6-8-10-12-13-15-17-19-21(4,5)20-18(3)16-14-11-9-7-2/h14,16,18H,6-13,15,17H2,1-5H3/b16-14+
InChIKeyONMQUIMKROIQRT-JQIJEIRASA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 56.22
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

Trimethyl(non-1-en-3-yloxy)silane
CID 12166838
Octadec-9Z-enol trimethylsilyl ether
CID 5366884
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Cyclohept-2-en-1-yloxy(trimethyl)silane
CID 12504316
Linoleyl alcohol tms ether
CID 15635192
7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
Trimethyl((9Z,11E)-9,11-tetradecadien-1-yloxy)silane
CID 20838897
2-Dimethyloctylsilyloxyoct-3-ene
CID 5353190
2-Dimethyldodecylsilyloxyoct-3-ene
CID 5353202
cis-9-octadecenol, tBDMS
CID 6430273
Silane, dimethyl(dec-4-enyloxy)heptyloxy-
CID 91694498
Silane, dimethyl(dec-4-enyloxy)decyloxy-
CID 91694499

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane?
The IUPAC name of dimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane (CID 91739055) is dimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane.
What is the SMILES notation for dimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane?
The canonical SMILES for dimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane is CCCC/C=C/C(C)O[Si](C)(C)OCCCCCCCC.
What is the InChIKey of dimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane?
The InChIKey is ONMQUIMKROIQRT-JQIJEIRASA-N. The full InChI is InChI=1S/C18H38O2Si/c1-6-8-10-12-13-15-17-19-21(4,5)20-18(3)16-14-11-9-7-2/h14,16,18H,6-13,15,17H2,1-5H3/b16-14+.
What are the key properties of dimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane?
dimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane has a molecular weight of 314.59 g/mol, XLogP of 6.22, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(E)-oct-3-en-2-yl]oxy-octoxysilane is sourced from PubChem (CID 91739055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).