CID 175176965

C22H35Al2O5 — CID 175176965

IUPAC—
SMILESCC(C)(C)c1ccc(C(=O)O)cc1.CC(C)(C)c1ccc(C(=O)O)cc1.O.[AlH2].[AlH3]
InChIInChI=1S/2C11H14O2.2Al.H2O.5H/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;;;;;;;;/h2*4-7H,1-3H3,(H,12,13);;;1H2;;;;;
InChIKeyKOJSZOSUVYEBRV-UHFFFAOYSA-N
MW433.48 g/mol
LogP2.44
Rot. Bonds2

About CID 175176965

CID 175176965 (PubChem CID 175176965) has the molecular formula C22H35Al2O5 and a molecular weight of 433.48 g/mol.

Molecular Properties

Compound NameCID 175176965
PubChem CID175176965
Molecular FormulaC22H35Al2O5
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC Name—
SMILESCC(C)(C)c1ccc(C(=O)O)cc1.CC(C)(C)c1ccc(C(=O)O)cc1.O.[AlH2].[AlH3]
InChIInChI=1S/2C11H14O2.2Al.H2O.5H/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;;;;;;;;/h2*4-7H,1-3H3,(H,12,13);;;1H2;;;;;
InChIKeyKOJSZOSUVYEBRV-UHFFFAOYSA-N
XLogP2.44
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-bis(4-tert-butylbenzoyl)-1,4-bis(4-tert-butylphenyl)but-2-ene-1,4-dione
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Frequently Asked Questions

What is the IUPAC name of CID 175176965?
The IUPAC name of CID 175176965 (CID 175176965) is not available.
What is the SMILES notation for CID 175176965?
The canonical SMILES for CID 175176965 is CC(C)(C)c1ccc(C(=O)O)cc1.CC(C)(C)c1ccc(C(=O)O)cc1.O.[AlH2].[AlH3].
What is the InChIKey of CID 175176965?
The InChIKey is KOJSZOSUVYEBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14O2.2Al.H2O.5H/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;;;;;;;;/h2*4-7H,1-3H3,(H,12,13);;;1H2;;;;;.
What are the key properties of CID 175176965?
CID 175176965 has a molecular weight of 433.48 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175176965 is sourced from PubChem (CID 175176965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).