(E)-3-hydroxynon-4-enoic acid

C9H16O3 — CID 55277354

IUPAC(E)-3-hydroxynon-4-enoic acid
SMILESCCCC/C=C/C(O)CC(=O)O
InChIInChI=1S/C9H16O3/c1-2-3-4-5-6-8(10)7-9(11)12/h5-6,8,10H,2-4,7H2,1H3,(H,11,12)/b6-5+
InChIKeyPMFGHKDIYFNBMZ-AATRIKPKSA-N
MW172.22 g/mol
LogP1.57
Rot. Bonds6

About (E)-3-hydroxynon-4-enoic acid

(E)-3-hydroxynon-4-enoic acid (PubChem CID 55277354) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (E)-3-hydroxynon-4-enoic acid.

Molecular Properties

Compound Name(E)-3-hydroxynon-4-enoic acid
PubChem CID55277354
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(E)-3-hydroxynon-4-enoic acid
SMILESCCCC/C=C/C(O)CC(=O)O
InChIInChI=1S/C9H16O3/c1-2-3-4-5-6-8(10)7-9(11)12/h5-6,8,10H,2-4,7H2,1H3,(H,11,12)/b6-5+
InChIKeyPMFGHKDIYFNBMZ-AATRIKPKSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-hydroxyundeca-4,8-dienoic acid
CID 57374118
4-carboxybutyl-[(E)-2-hydroxyoct-3-enyl]-dipentylazanium
CID 101276662
2-carboxyethyl-[(E)-2-hydroxyoct-3-enyl]-dipentylazanium
CID 101276782
3-carboxypropyl-diethyl-[(E)-2-hydroxyoct-3-enyl]azanium
CID 101276830
(Z)-3-methyldec-4-enoic acid
CID 131751127
(Z,3R)-3-methyldec-4-enoic acid
CID 162918439
3-methyldec-4-enoic acid
CID 579940
2-[(E)-oct-3-en-2-yl]butanedioic acid
CID 137456392
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
2-[(E)-dec-1-enyl]butanedioic acid
CID 6365755

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxynon-4-enoic acid?
The IUPAC name of (E)-3-hydroxynon-4-enoic acid (CID 55277354) is (E)-3-hydroxynon-4-enoic acid.
What is the SMILES notation for (E)-3-hydroxynon-4-enoic acid?
The canonical SMILES for (E)-3-hydroxynon-4-enoic acid is CCCC/C=C/C(O)CC(=O)O.
What is the InChIKey of (E)-3-hydroxynon-4-enoic acid?
The InChIKey is PMFGHKDIYFNBMZ-AATRIKPKSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-3-4-5-6-8(10)7-9(11)12/h5-6,8,10H,2-4,7H2,1H3,(H,11,12)/b6-5+.
What are the key properties of (E)-3-hydroxynon-4-enoic acid?
(E)-3-hydroxynon-4-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 (E)-3-hydroxynon-4-enoic acid is sourced from PubChem (CID 55277354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).