(E)-4-hydroxynon-2-enoic acid

C9H16O3 — CID 10442150

IUPAC(E)-4-hydroxynon-2-enoic acid
SMILESCCCCCC(O)/C=C/C(=O)O
InChIInChI=1S/C9H16O3/c1-2-3-4-5-8(10)6-7-9(11)12/h6-8,10H,2-5H2,1H3,(H,11,12)/b7-6+
InChIKeyRLNIWODKAMVILO-VOTSOKGWSA-N
MW172.22 g/mol
LogP1.57
Rot. Bonds6

About (E)-4-hydroxynon-2-enoic acid

(E)-4-hydroxynon-2-enoic acid (PubChem CID 10442150) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (E)-4-hydroxynon-2-enoic acid.

Molecular Properties

Compound Name(E)-4-hydroxynon-2-enoic acid
PubChem CID10442150
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(E)-4-hydroxynon-2-enoic acid
SMILESCCCCCC(O)/C=C/C(=O)O
InChIInChI=1S/C9H16O3/c1-2-3-4-5-8(10)6-7-9(11)12/h6-8,10H,2-5H2,1H3,(H,11,12)/b7-6+
InChIKeyRLNIWODKAMVILO-VOTSOKGWSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxynon-2-enoic acid?
The IUPAC name of (E)-4-hydroxynon-2-enoic acid (CID 10442150) is (E)-4-hydroxynon-2-enoic acid.
What is the SMILES notation for (E)-4-hydroxynon-2-enoic acid?
The canonical SMILES for (E)-4-hydroxynon-2-enoic acid is CCCCCC(O)/C=C/C(=O)O.
What is the InChIKey of (E)-4-hydroxynon-2-enoic acid?
The InChIKey is RLNIWODKAMVILO-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-3-4-5-8(10)6-7-9(11)12/h6-8,10H,2-5H2,1H3,(H,11,12)/b7-6+.
What are the key properties of (E)-4-hydroxynon-2-enoic acid?
(E)-4-hydroxynon-2-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)-4-hydroxynon-2-enoic acid is sourced from PubChem (CID 10442150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).