3-hydroxynon-8-enoic acid

C9H16O3 — CID 18916253

IUPAC3-hydroxynon-8-enoic acid
SMILESC=CCCCCC(O)CC(=O)O
InChIInChI=1S/C9H16O3/c1-2-3-4-5-6-8(10)7-9(11)12/h2,8,10H,1,3-7H2,(H,11,12)
InChIKeyYOYJVCHIWPIPFH-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.57
Rot. Bonds7

About 3-hydroxynon-8-enoic acid

3-hydroxynon-8-enoic acid (PubChem CID 18916253) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-hydroxynon-8-enoic acid.

Molecular Properties

Compound Name3-hydroxynon-8-enoic acid
PubChem CID18916253
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-hydroxynon-8-enoic acid
SMILESC=CCCCCC(O)CC(=O)O
InChIInChI=1S/C9H16O3/c1-2-3-4-5-6-8(10)7-9(11)12/h2,8,10H,1,3-7H2,(H,11,12)
InChIKeyYOYJVCHIWPIPFH-UHFFFAOYSA-N
XLogP1.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxynon-8-enoic acid?
The IUPAC name of 3-hydroxynon-8-enoic acid (CID 18916253) is 3-hydroxynon-8-enoic acid.
What is the SMILES notation for 3-hydroxynon-8-enoic acid?
The canonical SMILES for 3-hydroxynon-8-enoic acid is C=CCCCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxynon-8-enoic acid?
The InChIKey is YOYJVCHIWPIPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-3-4-5-6-8(10)7-9(11)12/h2,8,10H,1,3-7H2,(H,11,12).
What are the key properties of 3-hydroxynon-8-enoic acid?
3-hydroxynon-8-enoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxynon-8-enoic acid is sourced from PubChem (CID 18916253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).