[(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane

C21H40OSi — CID 135055267

IUPAC[(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane
SMILESCCCCCCCC/C=C/C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H40OSi/c1-8-9-10-11-12-13-14-15-16-17-18-22-23(19(2)3,20(4)5)21(6)7/h15-16,19-21H,8-14H2,1-7H3/b16-15+
InChIKeyPXSSMGJHRGZBJA-FOCLMDBBSA-N
MW336.64 g/mol
LogP7.45
Rot. Bonds11

About [(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane

[(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane (PubChem CID 135055267) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is [(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane
PubChem CID135055267
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Name[(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane
SMILESCCCCCCCC/C=C/C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H40OSi/c1-8-9-10-11-12-13-14-15-16-17-18-22-23(19(2)3,20(4)5)21(6)7/h15-16,19-21H,8-14H2,1-7H3/b16-15+
InChIKeyPXSSMGJHRGZBJA-FOCLMDBBSA-N
XLogP7.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 57.45
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(E)-tetradec-3-en-1-ynyl]silane
CID 14615393
(Z)-heptadec-8-en-6-yne
CID 101260338
tri(propan-2-yl)silyl (Z)-octadec-9-enoate
CID 156904918
(Z)-hexadec-9-en-7-yn-6-ol
CID 59125733
(E)-undec-2-enenitrile
CID 6538104
(8E)-heptadeca-1,8-dien-4,6-diyn-3-ol
CID 87603284
[(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane
CID 10927345
(E)-hexacos-10-ene
CID 22172169
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of [(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane (CID 135055267) is [(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane is CCCCCCCC/C=C/C#CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane?
The InChIKey is PXSSMGJHRGZBJA-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H40OSi/c1-8-9-10-11-12-13-14-15-16-17-18-22-23(19(2)3,20(4)5)21(6)7/h15-16,19-21H,8-14H2,1-7H3/b16-15+.
What are the key properties of [(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane?
[(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane has a molecular weight of 336.64 g/mol, XLogP of 7.45, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-3-en-1-ynoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 135055267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).