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

C22H46OSi — CID 5353202

IUPACdodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane
SMILESCCCC/C=C/C(C)O[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C22H46OSi/c1-6-8-10-12-13-14-15-16-17-19-21-24(4,5)23-22(3)20-18-11-9-7-2/h18,20,22H,6-17,19,21H2,1-5H3/b20-18+
InChIKeyDYIKPJOURCXMDK-CZIZESTLSA-N
MW354.70 g/mol
LogP8.26
Rot. Bonds17

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

dodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane (PubChem CID 5353202) has the molecular formula C22H46OSi and a molecular weight of 354.70 g/mol. Its IUPAC name is dodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane.

Molecular Properties

Compound Namedodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane
PubChem CID5353202
Molecular FormulaC22H46OSi
Molecular Weight354.70 g/mol
Exact Mass354.33
IUPAC Namedodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane
SMILESCCCC/C=C/C(C)O[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C22H46OSi/c1-6-8-10-12-13-14-15-16-17-19-21-24(4,5)23-22(3)20-18-11-9-7-2/h18,20,22H,6-17,19,21H2,1-5H3/b20-18+
InChIKeyDYIKPJOURCXMDK-CZIZESTLSA-N
XLogP8.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.70
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-Decen-1-ol, (E)-, TMS derivative
CID 14970964
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
1-Triisobutylsilyloxyundec-2-ene
CID 5353181
2-Trimethylsilyloxyoct-3-ene
CID 5353183
1-Trimethylsilyoxylundec-2-ene
CID 5353184
2-Dimethylisopropylsilyloxyoct-3-ene
CID 5353187
1-Dimethylisopropylsilyloxyundec-2-ene
CID 5353188
2-Dimethyloctylsilyloxyoct-3-ene
CID 5353190
1-Dimethyloctylsilyloxyundec-2-ene
CID 5353191
2-Tripropylsilyloxyoct-3-ene
CID 5353192
1-Tripropylsilyloxyundec-2-ene
CID 5353193
2-Trihexylsilyloxyoct-3-ene
CID 5353195

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
The IUPAC name of dodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane (CID 5353202) is dodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane.
What is the SMILES notation for dodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
The canonical SMILES for dodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane is CCCC/C=C/C(C)O[Si](C)(C)CCCCCCCCCCCC.
What is the InChIKey of dodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
The InChIKey is DYIKPJOURCXMDK-CZIZESTLSA-N. The full InChI is InChI=1S/C22H46OSi/c1-6-8-10-12-13-14-15-16-17-19-21-24(4,5)23-22(3)20-18-11-9-7-2/h18,20,22H,6-17,19,21H2,1-5H3/b20-18+.
What are the key properties of dodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
dodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane has a molecular weight of 354.70 g/mol, XLogP of 8.26, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane is sourced from PubChem (CID 5353202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).