3-hydroxydecanedioate

C10H16O5-2 — CID 20848938

IUPAC3-hydroxydecanedioate
SMILESO=C([O-])CCCCCCC(O)CC(=O)[O-]
InChIInChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)/p-2
InChIKeyOQYZCCKCJQWHIE-UHFFFAOYSA-L
MW216.23 g/mol
LogP-1.42
Rot. Bonds9

About 3-hydroxydecanedioate

3-hydroxydecanedioate (PubChem CID 20848938) has the molecular formula C10H16O5-2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-hydroxydecanedioate.

Molecular Properties

Compound Name3-hydroxydecanedioate
PubChem CID20848938
Molecular FormulaC10H16O5-2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name3-hydroxydecanedioate
SMILESO=C([O-])CCCCCCC(O)CC(=O)[O-]
InChIInChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)/p-2
InChIKeyOQYZCCKCJQWHIE-UHFFFAOYSA-L
XLogP-1.42
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-hydroxyhexanedioate
CID 20848934
8-hydroxydodecanoate
CID 155802527
potassium 3-hydroxydodecanoate
CID 171061524
(3S)-3-hydroxyoctanoate
CID 86308677
sodium 15-hydroxyoctadecanoate
CID 101326210
aluminum 12-hydroxyoctadecanoate
CID 21119248
CID 71432168
CID 71432168
potassium 15-hydroxyoctadecanoate
CID 101326197
sodium (12S)-12-hydroxyoctadecanoate
CID 76956600
sodium 6,8-dihydroxyoctanoate
CID 23714776
7-hydroxyoctanoate
CID 20848985
tridecanedioate
CID 6994474

Frequently Asked Questions

What is the IUPAC name of 3-hydroxydecanedioate?
The IUPAC name of 3-hydroxydecanedioate (CID 20848938) is 3-hydroxydecanedioate.
What is the SMILES notation for 3-hydroxydecanedioate?
The canonical SMILES for 3-hydroxydecanedioate is O=C([O-])CCCCCCC(O)CC(=O)[O-].
What is the InChIKey of 3-hydroxydecanedioate?
The InChIKey is OQYZCCKCJQWHIE-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)/p-2.
What are the key properties of 3-hydroxydecanedioate?
3-hydroxydecanedioate has a molecular weight of 216.23 g/mol, XLogP of -1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxydecanedioate is sourced from PubChem (CID 20848938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).