4,6-dihydroxyoctanoic acid

C8H16O4 — CID 137380619

IUPAC4,6-dihydroxyoctanoic acid
SMILESCCC(O)CC(O)CCC(=O)O
InChIInChI=1S/C8H16O4/c1-2-6(9)5-7(10)3-4-8(11)12/h6-7,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyAMUFJDZIMFQUDJ-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.37
Rot. Bonds6

About 4,6-dihydroxyoctanoic acid

4,6-dihydroxyoctanoic acid (PubChem CID 137380619) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 4,6-dihydroxyoctanoic acid.

Molecular Properties

Compound Name4,6-dihydroxyoctanoic acid
PubChem CID137380619
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name4,6-dihydroxyoctanoic acid
SMILESCCC(O)CC(O)CCC(=O)O
InChIInChI=1S/C8H16O4/c1-2-6(9)5-7(10)3-4-8(11)12/h6-7,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyAMUFJDZIMFQUDJ-UHFFFAOYSA-N
XLogP0.37
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-hydroxyhexanoic acid
CID 14057564
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
4,7,10-trihydroxytridecanedioic acid
CID 174508120
(5R)-5-hydroxyheptanoic acid
CID 14029725
(3R,5R)-heptane-3,5-diol
CID 12641368
4-hydroxyoctanoic acid
CID 159216758
2-(3-hydroxypentyl)pentanedioic acid
CID 134211777
15-hydroxyheptadecanoic acid
CID 14454507
27-hydroxynonacosanoic acid
CID 169277027
9,11-dihydroxyoctadecanoic acid
CID 71369214
octane-3,5-diol;scandium
CID 164810284
(4R,7R)-4,7-dihydroxyoctanoic acid
CID 90401423

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxyoctanoic acid?
The IUPAC name of 4,6-dihydroxyoctanoic acid (CID 137380619) is 4,6-dihydroxyoctanoic acid.
What is the SMILES notation for 4,6-dihydroxyoctanoic acid?
The canonical SMILES for 4,6-dihydroxyoctanoic acid is CCC(O)CC(O)CCC(=O)O.
What is the InChIKey of 4,6-dihydroxyoctanoic acid?
The InChIKey is AMUFJDZIMFQUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-2-6(9)5-7(10)3-4-8(11)12/h6-7,9-10H,2-5H2,1H3,(H,11,12).
What are the key properties of 4,6-dihydroxyoctanoic acid?
4,6-dihydroxyoctanoic acid has a molecular weight of 176.21 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxyoctanoic acid is sourced from PubChem (CID 137380619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).