aluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride

C10H10AlClO2 — CID 101086036

IUPACaluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride
SMILES[Al+3].[Cl-].[O-][C@@H]1c2ccccc2CC[C@@H]1[O-]
InChIInChI=1S/C10H10O2.Al.ClH/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;;/h1-4,9-10H,5-6H2;;1H/q-2;+3;/p-1/t9-,10+;;/m0../s1
InChIKeySNZQCYIMFYJNFG-JXGSBULDSA-M
MW224.62 g/mol
LogP-3.61
Rot. Bonds

About aluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride

aluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride (PubChem CID 101086036) has the molecular formula C10H10AlClO2 and a molecular weight of 224.62 g/mol. Its IUPAC name is aluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride.

Molecular Properties

Compound Namealuminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride
PubChem CID101086036
Molecular FormulaC10H10AlClO2
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Namealuminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride
SMILES[Al+3].[Cl-].[O-][C@@H]1c2ccccc2CC[C@@H]1[O-]
InChIInChI=1S/C10H10O2.Al.ClH/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;;/h1-4,9-10H,5-6H2;;1H/q-2;+3;/p-1/t9-,10+;;/m0../s1
InChIKeySNZQCYIMFYJNFG-JXGSBULDSA-M
XLogP-3.61
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 5-3.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of aluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride?
The IUPAC name of aluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride (CID 101086036) is aluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride.
What is the SMILES notation for aluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride?
The canonical SMILES for aluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride is [Al+3].[Cl-].[O-][C@@H]1c2ccccc2CC[C@@H]1[O-].
What is the InChIKey of aluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride?
The InChIKey is SNZQCYIMFYJNFG-JXGSBULDSA-M. The full InChI is InChI=1S/C10H10O2.Al.ClH/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;;/h1-4,9-10H,5-6H2;;1H/q-2;+3;/p-1/t9-,10+;;/m0../s1.
What are the key properties of aluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride?
aluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride has a molecular weight of 224.62 g/mol, XLogP of -3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diolate;chloride is sourced from PubChem (CID 101086036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).