hexane-1,2,3,6-tetracarboxylic acid

C10H14O8 — CID 57214817

IUPAChexane-1,2,3,6-tetracarboxylic acid
SMILESO=C(O)CCCC(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C10H14O8/c11-7(12)3-1-2-5(9(15)16)6(10(17)18)4-8(13)14/h5-6H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyQGNYZUSWJPLQJT-UHFFFAOYSA-N
MW262.21 g/mol
LogP0.12
Rot. Bonds9

About hexane-1,2,3,6-tetracarboxylic acid

hexane-1,2,3,6-tetracarboxylic acid (PubChem CID 57214817) has the molecular formula C10H14O8 and a molecular weight of 262.21 g/mol. Its IUPAC name is hexane-1,2,3,6-tetracarboxylic acid.

Molecular Properties

Compound Namehexane-1,2,3,6-tetracarboxylic acid
PubChem CID57214817
Molecular FormulaC10H14O8
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Namehexane-1,2,3,6-tetracarboxylic acid
SMILESO=C(O)CCCC(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C10H14O8/c11-7(12)3-1-2-5(9(15)16)6(10(17)18)4-8(13)14/h5-6H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyQGNYZUSWJPLQJT-UHFFFAOYSA-N
XLogP0.12
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 90941074
butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
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(3S)-3-hydroxyheptanedioic acid
CID 87737490
2-nonan-5-ylhexanedioic acid
CID 19830332
4-aminobutane-1,2,3-tricarboxylic acid
CID 88712271
2-propan-2-ylheptadecanedioic acid;dihydrochloride
CID 89462936
azane;bis(pentanedioic acid)
CID 138524332
azane;hexanedioic acid
CID 14323449
2-icosan-2-ylhexanedioic acid
CID 87918872
5,5-dihydroxypentanoic acid
CID 57194054
heptane-1,2,7-tricarboxylic acid
CID 86256210
heptadecane-1,2,17-tricarboxylic acid
CID 174547232

Frequently Asked Questions

What is the IUPAC name of hexane-1,2,3,6-tetracarboxylic acid?
The IUPAC name of hexane-1,2,3,6-tetracarboxylic acid (CID 57214817) is hexane-1,2,3,6-tetracarboxylic acid.
What is the SMILES notation for hexane-1,2,3,6-tetracarboxylic acid?
The canonical SMILES for hexane-1,2,3,6-tetracarboxylic acid is O=C(O)CCCC(C(=O)O)C(CC(=O)O)C(=O)O.
What is the InChIKey of hexane-1,2,3,6-tetracarboxylic acid?
The InChIKey is QGNYZUSWJPLQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O8/c11-7(12)3-1-2-5(9(15)16)6(10(17)18)4-8(13)14/h5-6H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18).
What are the key properties of hexane-1,2,3,6-tetracarboxylic acid?
hexane-1,2,3,6-tetracarboxylic acid has a molecular weight of 262.21 g/mol, XLogP of 0.12, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,2,3,6-tetracarboxylic acid is sourced from PubChem (CID 57214817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).