2-hydroxyheptanedioic acid

C14H24O10 — CID 160889869

IUPAC2-hydroxyheptanedioic acid
SMILESO=C(O)CCCCC(O)C(=O)O.O=C(O)CCCCC(O)C(=O)O
InChIInChI=1S/2C7H12O5/c2*8-5(7(11)12)3-1-2-4-6(9)10/h2*5,8H,1-4H2,(H,9,10)(H,11,12)
InChIKeySOCVTMAUKORFAE-UHFFFAOYSA-N
MW352.34 g/mol
LogP0.15
Rot. Bonds12

About 2-hydroxyheptanedioic acid

2-hydroxyheptanedioic acid (PubChem CID 160889869) has the molecular formula C14H24O10 and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-hydroxyheptanedioic acid.

Molecular Properties

Compound Name2-hydroxyheptanedioic acid
PubChem CID160889869
Molecular FormulaC14H24O10
Molecular Weight352.34 g/mol
Exact Mass352.14
IUPAC Name2-hydroxyheptanedioic acid
SMILESO=C(O)CCCCC(O)C(=O)O.O=C(O)CCCCC(O)C(=O)O
InChIInChI=1S/2C7H12O5/c2*8-5(7(11)12)3-1-2-4-6(9)10/h2*5,8H,1-4H2,(H,9,10)(H,11,12)
InChIKeySOCVTMAUKORFAE-UHFFFAOYSA-N
XLogP0.15
TPSA189.66 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 50.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxynonanedioic acid
CID 12760708
2-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989363
hexanedioic acid;2-hydroxyoctadecanoic acid;octadecanoic acid;propane-1,2,3-triol
CID 131718041
(Z)-hexadec-9-enoic acid;2-hydroxyhexadecanoic acid
CID 90010224
(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843
sodium;hydride;(2R)-2-hydroxypentanedioic acid
CID 174887046
7,8-dihydroxyhexadecanedioic acid
CID 14556981
14-hydroxy-15-methylhexadec-15-enoic acid
CID 551190
henicosane-1,11,21-tricarboxylic acid
CID 12632759
2-hydroxyheptanoic acid
CID 2750949
2-hydroxypentanedioic acid;urea
CID 175478828
6-chloro-6-hydroxyhexanoic acid
CID 175264198

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyheptanedioic acid?
The IUPAC name of 2-hydroxyheptanedioic acid (CID 160889869) is 2-hydroxyheptanedioic acid.
What is the SMILES notation for 2-hydroxyheptanedioic acid?
The canonical SMILES for 2-hydroxyheptanedioic acid is O=C(O)CCCCC(O)C(=O)O.O=C(O)CCCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxyheptanedioic acid?
The InChIKey is SOCVTMAUKORFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12O5/c2*8-5(7(11)12)3-1-2-4-6(9)10/h2*5,8H,1-4H2,(H,9,10)(H,11,12).
What are the key properties of 2-hydroxyheptanedioic acid?
2-hydroxyheptanedioic acid has a molecular weight of 352.34 g/mol, XLogP of 0.15, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyheptanedioic acid is sourced from PubChem (CID 160889869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).