3-hydroxynon-6-enoic acid

C9H16O3 — CID 57374123

IUPAC3-hydroxynon-6-enoic acid
SMILESCCC=CCCC(O)CC(=O)O
InChIInChI=1S/C9H16O3/c1-2-3-4-5-6-8(10)7-9(11)12/h3-4,8,10H,2,5-7H2,1H3,(H,11,12)
InChIKeyOBWZUPUHFRKCCB-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.57
Rot. Bonds6

About 3-hydroxynon-6-enoic acid

3-hydroxynon-6-enoic acid (PubChem CID 57374123) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-hydroxynon-6-enoic acid.

Molecular Properties

Compound Name3-hydroxynon-6-enoic acid
PubChem CID57374123
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-hydroxynon-6-enoic acid
SMILESCCC=CCCC(O)CC(=O)O
InChIInChI=1S/C9H16O3/c1-2-3-4-5-6-8(10)7-9(11)12/h3-4,8,10H,2,5-7H2,1H3,(H,11,12)
InChIKeyOBWZUPUHFRKCCB-UHFFFAOYSA-N
XLogP1.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-hydroxy-8,8-dimethylnon-6-enoic acid
CID 142275419
carboxymethyl-diethyl-[(E)-2-hydroxyoct-5-enyl]azanium
CID 101276680
3-hydroxyundeca-4,8-dienoic acid
CID 57374118
(Z,3R)-3-hydroxytetradec-7-enoic acid
CID 24881363
(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006
(3R)-3-hydroxy-7-methyloct-6-enoic acid
CID 14333599
4-carboxybutyl-[(E)-2-hydroxyoct-5-enyl]-dimethylazanium
CID 101276536
3-hydroxyhexanoic acid;methane
CID 175209406
2-[(Z)-but-1-enyl]oct-5-enoic acid
CID 174237174
(2R)-2-ethyl-5-hydroxyheptanedioic acid
CID 59616410
(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid
CID 175828480
dibutyl-(2-carboxybutyl)-[(E)-2-hydroxyoct-5-enyl]azanium
CID 101276616

Frequently Asked Questions

What is the IUPAC name of 3-hydroxynon-6-enoic acid?
The IUPAC name of 3-hydroxynon-6-enoic acid (CID 57374123) is 3-hydroxynon-6-enoic acid.
What is the SMILES notation for 3-hydroxynon-6-enoic acid?
The canonical SMILES for 3-hydroxynon-6-enoic acid is CCC=CCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxynon-6-enoic acid?
The InChIKey is OBWZUPUHFRKCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-3-4-5-6-8(10)7-9(11)12/h3-4,8,10H,2,5-7H2,1H3,(H,11,12).
What are the key properties of 3-hydroxynon-6-enoic acid?
3-hydroxynon-6-enoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxynon-6-enoic acid is sourced from PubChem (CID 57374123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).