2,5-dihydroxy-2,5-dimethylhexanedioic acid

C8H14O6 — CID 14972412

IUPAC2,5-dihydroxy-2,5-dimethylhexanedioic acid
SMILESCC(O)(CCC(C)(O)C(=O)O)C(=O)O
InChIInChI=1S/C8H14O6/c1-7(13,5(9)10)3-4-8(2,14)6(11)12/h13-14H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyKDLPLSPPCRJHGC-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.56
Rot. Bonds5

About 2,5-dihydroxy-2,5-dimethylhexanedioic acid

2,5-dihydroxy-2,5-dimethylhexanedioic acid (PubChem CID 14972412) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is 2,5-dihydroxy-2,5-dimethylhexanedioic acid.

Molecular Properties

Compound Name2,5-dihydroxy-2,5-dimethylhexanedioic acid
PubChem CID14972412
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name2,5-dihydroxy-2,5-dimethylhexanedioic acid
SMILESCC(O)(CCC(C)(O)C(=O)O)C(=O)O
InChIInChI=1S/C8H14O6/c1-7(13,5(9)10)3-4-8(2,14)6(11)12/h13-14H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyKDLPLSPPCRJHGC-UHFFFAOYSA-N
XLogP-0.56
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-2,5-dimethylhexanedioic acid?
The IUPAC name of 2,5-dihydroxy-2,5-dimethylhexanedioic acid (CID 14972412) is 2,5-dihydroxy-2,5-dimethylhexanedioic acid.
What is the SMILES notation for 2,5-dihydroxy-2,5-dimethylhexanedioic acid?
The canonical SMILES for 2,5-dihydroxy-2,5-dimethylhexanedioic acid is CC(O)(CCC(C)(O)C(=O)O)C(=O)O.
What is the InChIKey of 2,5-dihydroxy-2,5-dimethylhexanedioic acid?
The InChIKey is KDLPLSPPCRJHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6/c1-7(13,5(9)10)3-4-8(2,14)6(11)12/h13-14H,3-4H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2,5-dihydroxy-2,5-dimethylhexanedioic acid?
2,5-dihydroxy-2,5-dimethylhexanedioic acid has a molecular weight of 206.19 g/mol, XLogP of -0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-2,5-dimethylhexanedioic acid is sourced from PubChem (CID 14972412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).