(2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid

C11H14O3 — CID 138402903

IUPAC(2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid
SMILESCC(O)/C=C/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C11H14O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h2-10,12H,1H3,(H,13,14)/b4-2+,5-3+,8-6+,9-7+
InChIKeyIKLIRJJFRKIXHF-VTXBTNDESA-N
MW194.23 g/mol
LogP1.68
Rot. Bonds5

About (2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid

(2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid (PubChem CID 138402903) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid.

Molecular Properties

Compound Name(2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid
PubChem CID138402903
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid
SMILESCC(O)/C=C/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C11H14O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h2-10,12H,1H3,(H,13,14)/b4-2+,5-3+,8-6+,9-7+
InChIKeyIKLIRJJFRKIXHF-VTXBTNDESA-N
XLogP1.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid?
The IUPAC name of (2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid (CID 138402903) is (2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid.
What is the SMILES notation for (2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid?
The canonical SMILES for (2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid is CC(O)/C=C/C=C/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid?
The InChIKey is IKLIRJJFRKIXHF-VTXBTNDESA-N. The full InChI is InChI=1S/C11H14O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h2-10,12H,1H3,(H,13,14)/b4-2+,5-3+,8-6+,9-7+.
What are the key properties of (2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid?
(2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-10-hydroxyundeca-2,4,6,8-tetraenoic acid is sourced from PubChem (CID 138402903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).