[(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane

C20H42O2Si — CID 91698244

IUPAC[(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane
SMILESCCCCCCCCC/C=C/CO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C20H42O2Si/c1-6-7-8-9-10-11-12-13-14-15-18-21-23(4,5)22-19-16-17-20(2)3/h14-15,20H,6-13,16-19H2,1-5H3/b15-14+
InChIKeyCELKORQMPNSHOI-CCEZHUSRSA-N
MW342.64 g/mol
LogP6.85
Rot. Bonds16

About [(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane

[(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane (PubChem CID 91698244) has the molecular formula C20H42O2Si and a molecular weight of 342.64 g/mol. Its IUPAC name is [(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane.

Molecular Properties

Compound Name[(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane
PubChem CID91698244
Molecular FormulaC20H42O2Si
Molecular Weight342.64 g/mol
Exact Mass342.30
IUPAC Name[(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane
SMILESCCCCCCCCC/C=C/CO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C20H42O2Si/c1-6-7-8-9-10-11-12-13-14-15-18-21-23(4,5)22-19-16-17-20(2)3/h14-15,20H,6-13,16-19H2,1-5H3/b15-14+
InChIKeyCELKORQMPNSHOI-CCEZHUSRSA-N
XLogP6.85
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 ≤ 56.85
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

1-Trimethylsiloxy-3,7,11,15-tetramethyl-2-hexadecene
CID 5372684
Phytyl tms ether
CID 129725731
1-Triisobutylsilyloxyundec-2-ene
CID 5353181
trans-2-Decen-1-ol, tert-butyldimethylsilyl ether
CID 13033704
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)octyloxy-
CID 91697248
bis[(2E)-Dec-2-en-1-yloxy](dimethyl)silane
CID 91697257
bis[(2E)-Dodec-2-en-1-yloxy](dimethyl)silane
CID 91697260
Silane, dimethyl(undec-2-enyloxy)isobutoxy-
CID 91697325
trans-2-Dodecen-1-ol, tert-butyldimethylsilyl ether
CID 91697346
Silane, dimethyldi(undec-2-enyloxy)-
CID 91697365
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)isohexyloxy-
CID 91698238
Silane, dimethyl(non-3-enyloxy)isohexyloxy-
CID 91698241

Frequently Asked Questions

What is the IUPAC name of [(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane?
The IUPAC name of [(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane (CID 91698244) is [(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane.
What is the SMILES notation for [(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane?
The canonical SMILES for [(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane is CCCCCCCCC/C=C/CO[Si](C)(C)OCCCC(C)C.
What is the InChIKey of [(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane?
The InChIKey is CELKORQMPNSHOI-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H42O2Si/c1-6-7-8-9-10-11-12-13-14-15-18-21-23(4,5)22-19-16-17-20(2)3/h14-15,20H,6-13,16-19H2,1-5H3/b15-14+.
What are the key properties of [(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane?
[(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane has a molecular weight of 342.64 g/mol, XLogP of 6.85, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-2-enoxy]-dimethyl-(4-methylpentoxy)silane is sourced from PubChem (CID 91698244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).