(E)-9-hydroxy-12-oxododec-10-enoic acid

C12H20O4 — CID 21080048

IUPAC(E)-9-hydroxy-12-oxododec-10-enoic acid
SMILESO=C/C=C/C(O)CCCCCCCC(=O)O
InChIInChI=1S/C12H20O4/c13-10-6-8-11(14)7-4-2-1-3-5-9-12(15)16/h6,8,10-11,14H,1-5,7,9H2,(H,15,16)/b8-6+
InChIKeyADPDWAFVBDMZSV-SOFGYWHQSA-N
MW228.29 g/mol
LogP1.92
Rot. Bonds10

About (E)-9-hydroxy-12-oxododec-10-enoic acid

(E)-9-hydroxy-12-oxododec-10-enoic acid (PubChem CID 21080048) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (E)-9-hydroxy-12-oxododec-10-enoic acid.

Molecular Properties

Compound Name(E)-9-hydroxy-12-oxododec-10-enoic acid
PubChem CID21080048
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(E)-9-hydroxy-12-oxododec-10-enoic acid
SMILESO=C/C=C/C(O)CCCCCCCC(=O)O
InChIInChI=1S/C12H20O4/c13-10-6-8-11(14)7-4-2-1-3-5-9-12(15)16/h6,8,10-11,14H,1-5,7,9H2,(H,15,16)/b8-6+
InChIKeyADPDWAFVBDMZSV-SOFGYWHQSA-N
XLogP1.92
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)-9-hydroxy-12-oxododec-10-enoic acid?
The IUPAC name of (E)-9-hydroxy-12-oxododec-10-enoic acid (CID 21080048) is (E)-9-hydroxy-12-oxododec-10-enoic acid.
What is the SMILES notation for (E)-9-hydroxy-12-oxododec-10-enoic acid?
The canonical SMILES for (E)-9-hydroxy-12-oxododec-10-enoic acid is O=C/C=C/C(O)CCCCCCCC(=O)O.
What is the InChIKey of (E)-9-hydroxy-12-oxododec-10-enoic acid?
The InChIKey is ADPDWAFVBDMZSV-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H20O4/c13-10-6-8-11(14)7-4-2-1-3-5-9-12(15)16/h6,8,10-11,14H,1-5,7,9H2,(H,15,16)/b8-6+.
What are the key properties of (E)-9-hydroxy-12-oxododec-10-enoic acid?
(E)-9-hydroxy-12-oxododec-10-enoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.92, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-hydroxy-12-oxododec-10-enoic acid is sourced from PubChem (CID 21080048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).