aluminum tris(cycloheptene-1-carboxylate)

C24H33AlO6 — CID 22604888

IUPACaluminum tris(cycloheptene-1-carboxylate)
SMILESO=C([O-])C1=CCCCCC1.O=C([O-])C1=CCCCCC1.O=C([O-])C1=CCCCCC1.[Al+3]
InChIInChI=1S/3C8H12O2.Al/c3*9-8(10)7-5-3-1-2-4-6-7;/h3*5H,1-4,6H2,(H,9,10);/q;;;+3/p-3
InChIKeyZUPQHKJIAJCLMA-UHFFFAOYSA-K
MW444.50 g/mol
LogP1.50
Rot. Bonds3

About aluminum tris(cycloheptene-1-carboxylate)

aluminum tris(cycloheptene-1-carboxylate) (PubChem CID 22604888) has the molecular formula C24H33AlO6 and a molecular weight of 444.50 g/mol. Its IUPAC name is aluminum tris(cycloheptene-1-carboxylate).

Molecular Properties

Compound Namealuminum tris(cycloheptene-1-carboxylate)
PubChem CID22604888
Molecular FormulaC24H33AlO6
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC Namealuminum tris(cycloheptene-1-carboxylate)
SMILESO=C([O-])C1=CCCCCC1.O=C([O-])C1=CCCCCC1.O=C([O-])C1=CCCCCC1.[Al+3]
InChIInChI=1S/3C8H12O2.Al/c3*9-8(10)7-5-3-1-2-4-6-7;/h3*5H,1-4,6H2,(H,9,10);/q;;;+3/p-3
InChIKeyZUPQHKJIAJCLMA-UHFFFAOYSA-K
XLogP1.50
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cycloheptene-1-carboxamide
CID 22261654
N-oxocycloheptene-1-carboxamide
CID 130462192
methyl cyclododecene-1-carboxylate
CID 54564642
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
2-chloro-1-(cyclohepten-1-yl)-2,2-difluoroethanone
CID 106652177
cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 106655849
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
ethyl cycloundecene-1-carboxylate
CID 154164177
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
N,N-dimethylcyclohexene-1-carboxamide
CID 11019067
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492

Frequently Asked Questions

What is the IUPAC name of aluminum tris(cycloheptene-1-carboxylate)?
The IUPAC name of aluminum tris(cycloheptene-1-carboxylate) (CID 22604888) is aluminum tris(cycloheptene-1-carboxylate).
What is the SMILES notation for aluminum tris(cycloheptene-1-carboxylate)?
The canonical SMILES for aluminum tris(cycloheptene-1-carboxylate) is O=C([O-])C1=CCCCCC1.O=C([O-])C1=CCCCCC1.O=C([O-])C1=CCCCCC1.[Al+3].
What is the InChIKey of aluminum tris(cycloheptene-1-carboxylate)?
The InChIKey is ZUPQHKJIAJCLMA-UHFFFAOYSA-K. The full InChI is InChI=1S/3C8H12O2.Al/c3*9-8(10)7-5-3-1-2-4-6-7;/h3*5H,1-4,6H2,(H,9,10);/q;;;+3/p-3.
What are the key properties of aluminum tris(cycloheptene-1-carboxylate)?
aluminum tris(cycloheptene-1-carboxylate) has a molecular weight of 444.50 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(cycloheptene-1-carboxylate) is sourced from PubChem (CID 22604888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).