tris(dodec-2-enoxy)alumane

C36H69AlO3 — CID 88956307

IUPACtris(dodec-2-enoxy)alumane
SMILESCCCCCCCCCC=CCO[Al](OCC=CCCCCCCCCC)OCC=CCCCCCCCCC
InChIInChI=1S/3C12H23O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13;/h3*10-11H,2-9,12H2,1H3;/q3*-1;+3
InChIKeyUZOZRSIHIWRJEX-UHFFFAOYSA-N
MW576.93 g/mol
LogP12.11
Rot. Bonds33

About tris(dodec-2-enoxy)alumane

tris(dodec-2-enoxy)alumane (PubChem CID 88956307) has the molecular formula C36H69AlO3 and a molecular weight of 576.93 g/mol. Its IUPAC name is tris(dodec-2-enoxy)alumane.

Molecular Properties

Compound Nametris(dodec-2-enoxy)alumane
PubChem CID88956307
Molecular FormulaC36H69AlO3
Molecular Weight576.93 g/mol
Exact Mass576.51
IUPAC Nametris(dodec-2-enoxy)alumane
SMILESCCCCCCCCCC=CCO[Al](OCC=CCCCCCCCCC)OCC=CCCCCCCCCC
InChIInChI=1S/3C12H23O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13;/h3*10-11H,2-9,12H2,1H3;/q3*-1;+3
InChIKeyUZOZRSIHIWRJEX-UHFFFAOYSA-N
XLogP12.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.93
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of tris(dodec-2-enoxy)alumane?
The IUPAC name of tris(dodec-2-enoxy)alumane (CID 88956307) is tris(dodec-2-enoxy)alumane.
What is the SMILES notation for tris(dodec-2-enoxy)alumane?
The canonical SMILES for tris(dodec-2-enoxy)alumane is CCCCCCCCCC=CCO[Al](OCC=CCCCCCCCCC)OCC=CCCCCCCCCC.
What is the InChIKey of tris(dodec-2-enoxy)alumane?
The InChIKey is UZOZRSIHIWRJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H23O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13;/h3*10-11H,2-9,12H2,1H3;/q3*-1;+3.
What are the key properties of tris(dodec-2-enoxy)alumane?
tris(dodec-2-enoxy)alumane has a molecular weight of 576.93 g/mol, XLogP of 12.11, 33 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dodec-2-enoxy)alumane is sourced from PubChem (CID 88956307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).