CID 69445910

C22H28AlO4 — CID 69445910

IUPAC—
SMILESCCCCc1ccc(C(=O)O)cc1.CCCCc1ccc(C(=O)O)cc1.[Al]
InChIInChI=1S/2C11H14O2.Al/c2*1-2-3-4-9-5-7-10(8-6-9)11(12)13;/h2*5-8H,2-4H2,1H3,(H,12,13);
InChIKeyFUVJBMQAOZSLIJ-UHFFFAOYSA-N
MW383.44 g/mol
LogP5.07
Rot. Bonds8

About CID 69445910

CID 69445910 (PubChem CID 69445910) has the molecular formula C22H28AlO4 and a molecular weight of 383.44 g/mol.

Molecular Properties

Compound NameCID 69445910
PubChem CID69445910
Molecular FormulaC22H28AlO4
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name—
SMILESCCCCc1ccc(C(=O)O)cc1.CCCCc1ccc(C(=O)O)cc1.[Al]
InChIInChI=1S/2C11H14O2.Al/c2*1-2-3-4-9-5-7-10(8-6-9)11(12)13;/h2*5-8H,2-4H2,1H3,(H,12,13);
InChIKeyFUVJBMQAOZSLIJ-UHFFFAOYSA-N
XLogP5.07
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 69445910?
The IUPAC name of CID 69445910 (CID 69445910) is not available.
What is the SMILES notation for CID 69445910?
The canonical SMILES for CID 69445910 is CCCCc1ccc(C(=O)O)cc1.CCCCc1ccc(C(=O)O)cc1.[Al].
What is the InChIKey of CID 69445910?
The InChIKey is FUVJBMQAOZSLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14O2.Al/c2*1-2-3-4-9-5-7-10(8-6-9)11(12)13;/h2*5-8H,2-4H2,1H3,(H,12,13);.
What are the key properties of CID 69445910?
CID 69445910 has a molecular weight of 383.44 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69445910 is sourced from PubChem (CID 69445910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).