decoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane

C20H42O2Si — CID 91740946

IUPACdecoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane
SMILESCCCC/C=C/C(C)O[Si](C)(C)OCCCCCCCCCC
InChIInChI=1S/C20H42O2Si/c1-6-8-10-12-13-14-15-17-19-21-23(4,5)22-20(3)18-16-11-9-7-2/h16,18,20H,6-15,17,19H2,1-5H3/b18-16+
InChIKeyMREGKZDJLDNVOU-FBMGVBCBSA-N
MW342.64 g/mol
LogP7.00
Rot. Bonds16

About decoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane

decoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane (PubChem CID 91740946) has the molecular formula C20H42O2Si and a molecular weight of 342.64 g/mol. Its IUPAC name is decoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane.

Molecular Properties

Compound Namedecoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane
PubChem CID91740946
Molecular FormulaC20H42O2Si
Molecular Weight342.64 g/mol
Exact Mass342.30
IUPAC Namedecoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane
SMILESCCCC/C=C/C(C)O[Si](C)(C)OCCCCCCCCCC
InChIInChI=1S/C20H42O2Si/c1-6-8-10-12-13-14-15-17-19-21-23(4,5)22-20(3)18-16-11-9-7-2/h16,18,20H,6-15,17,19H2,1-5H3/b18-16+
InChIKeyMREGKZDJLDNVOU-FBMGVBCBSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 57.00
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 decoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
The IUPAC name of decoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane (CID 91740946) is decoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane.
What is the SMILES notation for decoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
The canonical SMILES for decoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane is CCCC/C=C/C(C)O[Si](C)(C)OCCCCCCCCCC.
What is the InChIKey of decoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
The InChIKey is MREGKZDJLDNVOU-FBMGVBCBSA-N. The full InChI is InChI=1S/C20H42O2Si/c1-6-8-10-12-13-14-15-17-19-21-23(4,5)22-20(3)18-16-11-9-7-2/h16,18,20H,6-15,17,19H2,1-5H3/b18-16+.
What are the key properties of decoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
decoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane has a molecular weight of 342.64 g/mol, XLogP of 7.00, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane is sourced from PubChem (CID 91740946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).