3-hydroxyoctanedioic acid

C8H14O5 — CID 22328017

IUPAC3-hydroxyoctanedioic acid
SMILESO=C(O)CCCCC(O)CC(=O)O
InChIInChI=1S/C8H14O5/c9-6(5-8(12)13)3-1-2-4-7(10)11/h6,9H,1-5H2,(H,10,11)(H,12,13)
InChIKeyARJZZFJXSNJKGR-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.47
Rot. Bonds7

About 3-hydroxyoctanedioic acid

3-hydroxyoctanedioic acid (PubChem CID 22328017) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 3-hydroxyoctanedioic acid.

Molecular Properties

Compound Name3-hydroxyoctanedioic acid
PubChem CID22328017
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name3-hydroxyoctanedioic acid
SMILESO=C(O)CCCCC(O)CC(=O)O
InChIInChI=1S/C8H14O5/c9-6(5-8(12)13)3-1-2-4-7(10)11/h6,9H,1-5H2,(H,10,11)(H,12,13)
InChIKeyARJZZFJXSNJKGR-UHFFFAOYSA-N
XLogP0.47
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxyheptadecanedioic acid
CID 23052244
3-hydroxydodecanedioic acid
CID 16663321
(3S)-3-hydroxyheptanedioic acid
CID 87737490
dec-9-enoic acid;3-hydroxydec-9-enoic acid
CID 159851284
5-hydroxytridecanedioic acid
CID 139805426
3-hydroxyoctanoic acid
CID 159718411
14-fluoro-13-hydroxytetradecanoic acid
CID 101029960
18,19-dihydroxynonadecanoic acid
CID 87167042
3-hydroxytetracosanoic acid
CID 5312781
27-hydroxynonacosanoic acid
CID 169277027
(9S)-9,18-dihydroxyoctadecanoic acid
CID 163000133
3,13-dihydroxytetradecanoic acid
CID 146242796

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyoctanedioic acid?
The IUPAC name of 3-hydroxyoctanedioic acid (CID 22328017) is 3-hydroxyoctanedioic acid.
What is the SMILES notation for 3-hydroxyoctanedioic acid?
The canonical SMILES for 3-hydroxyoctanedioic acid is O=C(O)CCCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxyoctanedioic acid?
The InChIKey is ARJZZFJXSNJKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c9-6(5-8(12)13)3-1-2-4-7(10)11/h6,9H,1-5H2,(H,10,11)(H,12,13).
What are the key properties of 3-hydroxyoctanedioic acid?
3-hydroxyoctanedioic acid has a molecular weight of 190.19 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyoctanedioic acid is sourced from PubChem (CID 22328017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).