aluminum;cyclohexane-1,2-dicarboxylate;hydroxide

C8H11AlO5 — CID 90236478

IUPACaluminum;cyclohexane-1,2-dicarboxylate;hydroxide
SMILESO=C([O-])C1CCCCC1C(=O)[O-].[Al+3].[OH-]
InChIInChI=1S/C8H12O4.Al.H2O/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h5-6H,1-4H2,(H,9,10)(H,11,12);;1H2/q;+3;/p-3
InChIKeyFPVXYVCNVCUGKO-UHFFFAOYSA-K
MW214.15 g/mol
LogP-2.27
Rot. Bonds2

About aluminum;cyclohexane-1,2-dicarboxylate;hydroxide

aluminum;cyclohexane-1,2-dicarboxylate;hydroxide (PubChem CID 90236478) has the molecular formula C8H11AlO5 and a molecular weight of 214.15 g/mol. Its IUPAC name is aluminum;cyclohexane-1,2-dicarboxylate;hydroxide.

Molecular Properties

Compound Namealuminum;cyclohexane-1,2-dicarboxylate;hydroxide
PubChem CID90236478
Molecular FormulaC8H11AlO5
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Namealuminum;cyclohexane-1,2-dicarboxylate;hydroxide
SMILESO=C([O-])C1CCCCC1C(=O)[O-].[Al+3].[OH-]
InChIInChI=1S/C8H12O4.Al.H2O/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h5-6H,1-4H2,(H,9,10)(H,11,12);;1H2/q;+3;/p-3
InChIKeyFPVXYVCNVCUGKO-UHFFFAOYSA-K
XLogP-2.27
TPSA110.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate
CID 41097361
cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate
CID 7128324
sodium 2-hydroxycyclohexane-1-carboxylate
CID 24837048
2-azaniumylcyclohexane-1-carboxylate
CID 53400661
2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate
CID 4745906
bis(2-bromocyclohexane-1-carboxylate);cadmium(2+)
CID 22604911
cadmium(2+);bis(2-methylcyclohexane-1-carboxylate)
CID 22603924
cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6927821
trans-(1S,2S)-2-(cyclooctylcarbamoyl)cyclohexane-1-carboxylate
CID 2179462
cis-(1R,2S)-2-ethoxycarbonylcyclohexane-1-carboxylate
CID 71423369
cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate
CID 36688289
cis-(1R,2S)-2-(2-bromoethoxycarbonyl)cyclohexane-1-carboxylate
CID 7052246

Frequently Asked Questions

What is the IUPAC name of aluminum;cyclohexane-1,2-dicarboxylate;hydroxide?
The IUPAC name of aluminum;cyclohexane-1,2-dicarboxylate;hydroxide (CID 90236478) is aluminum;cyclohexane-1,2-dicarboxylate;hydroxide.
What is the SMILES notation for aluminum;cyclohexane-1,2-dicarboxylate;hydroxide?
The canonical SMILES for aluminum;cyclohexane-1,2-dicarboxylate;hydroxide is O=C([O-])C1CCCCC1C(=O)[O-].[Al+3].[OH-].
What is the InChIKey of aluminum;cyclohexane-1,2-dicarboxylate;hydroxide?
The InChIKey is FPVXYVCNVCUGKO-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H12O4.Al.H2O/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h5-6H,1-4H2,(H,9,10)(H,11,12);;1H2/q;+3;/p-3.
What are the key properties of aluminum;cyclohexane-1,2-dicarboxylate;hydroxide?
aluminum;cyclohexane-1,2-dicarboxylate;hydroxide has a molecular weight of 214.15 g/mol, XLogP of -2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;cyclohexane-1,2-dicarboxylate;hydroxide is sourced from PubChem (CID 90236478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).