(3R)-3-hydroxynon-8-enoic acid

C9H16O3 — CID 54519770

IUPAC(3R)-3-hydroxynon-8-enoic acid
SMILESC=CCCCC[C@@H](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)/t8-/m1/s1
InChIKeyYOYJVCHIWPIPFH-MRVPVSSYSA-N
MW172.22 g/mol
LogP1.57
Rot. Bonds7

About (3R)-3-hydroxynon-8-enoic acid

(3R)-3-hydroxynon-8-enoic acid (PubChem CID 54519770) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (3R)-3-hydroxynon-8-enoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxynon-8-enoic acid
PubChem CID54519770
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(3R)-3-hydroxynon-8-enoic acid
SMILESC=CCCCC[C@@H](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)/t8-/m1/s1
InChIKeyYOYJVCHIWPIPFH-MRVPVSSYSA-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'}

Analyze (3R)-3-hydroxynon-8-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Glyceryl 1-undecylenate
CID 9921382
9-hydroxyundec-10-enoic Acid
CID 10465398
2-Hydroxy-10-undecenoic acid
CID 5312742
Isanolic acid
CID 5312840
(S)-9-Hydroxy-10-undecenoic acid
CID 73242170
10-Undecenoic acid, ester with 1,2,3-propanetriol
CID 164180229
17-Hydroxylinoleate
CID 138756162
8-Hydroxy-17-octadecene-10,12-diynoic acid
CID 5312841
methyl (3R,8Z,13E)-3-hydroxypentadeca-8,13-dien-11-ynoate
CID 162922666
(3S,7E,9E,13E)-3-hydroxypentadeca-7,9,13-trien-11-ynoic acid
CID 162978499
(6S)-6-hydroxyoct-7-enoic acid
CID 163042487
Protegenin B
CID 170990154

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxynon-8-enoic acid?
The IUPAC name of (3R)-3-hydroxynon-8-enoic acid (CID 54519770) is (3R)-3-hydroxynon-8-enoic acid.
What is the SMILES notation for (3R)-3-hydroxynon-8-enoic acid?
The canonical SMILES for (3R)-3-hydroxynon-8-enoic acid is C=CCCCC[C@@H](O)CC(=O)O.
What is the InChIKey of (3R)-3-hydroxynon-8-enoic acid?
The InChIKey is YOYJVCHIWPIPFH-MRVPVSSYSA-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)/t8-/m1/s1.
What are the key properties of (3R)-3-hydroxynon-8-enoic acid?
(3R)-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 (3R)-3-hydroxynon-8-enoic acid is sourced from PubChem (CID 54519770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).