5-hydroxyundec-2-enoic acid

C11H20O3 — CID 54094975

IUPAC5-hydroxyundec-2-enoic acid
SMILESCCCCCCC(O)CC=CC(=O)O
InChIInChI=1S/C11H20O3/c1-2-3-4-5-7-10(12)8-6-9-11(13)14/h6,9-10,12H,2-5,7-8H2,1H3,(H,13,14)
InChIKeyMWMIRIBJWGECFI-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.35
Rot. Bonds8

About 5-hydroxyundec-2-enoic acid

5-hydroxyundec-2-enoic acid (PubChem CID 54094975) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-hydroxyundec-2-enoic acid.

Molecular Properties

Compound Name5-hydroxyundec-2-enoic acid
PubChem CID54094975
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-hydroxyundec-2-enoic acid
SMILESCCCCCCC(O)CC=CC(=O)O
InChIInChI=1S/C11H20O3/c1-2-3-4-5-7-10(12)8-6-9-11(13)14/h6,9-10,12H,2-5,7-8H2,1H3,(H,13,14)
InChIKeyMWMIRIBJWGECFI-UHFFFAOYSA-N
XLogP2.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.35
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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Related Compounds

5,8-dihydroxyoctadec-2-enoic acid
CID 162533273
14-hydroxyicos-2-enoic acid
CID 54225996
(Z)-5-methylundec-2-enoic acid
CID 155211364
11-hydroxypentadec-2-enoic acid
CID 162983544
(3R)-3,8-dihydroxytetradec-5-enoic acid
CID 57012260
(E,6R)-6-hydroxydodec-3-enoic acid
CID 87722437
7,10,13-trihydroxyoctadec-2-enoic acid
CID 146242236
methyl (E)-5-hydroxydec-2-enoate
CID 134979817
7-hydroxytridec-4-enoic acid
CID 162699563
(E)-9,12,13-trihydroxyoctadec-2-enoic acid
CID 87252445
12,13-dihydroxyoctadec-2-enoic acid
CID 71343147
(E)-octadec-1-ene-1,4-diol
CID 87483971

Frequently Asked Questions

What is the IUPAC name of 5-hydroxyundec-2-enoic acid?
The IUPAC name of 5-hydroxyundec-2-enoic acid (CID 54094975) is 5-hydroxyundec-2-enoic acid.
What is the SMILES notation for 5-hydroxyundec-2-enoic acid?
The canonical SMILES for 5-hydroxyundec-2-enoic acid is CCCCCCC(O)CC=CC(=O)O.
What is the InChIKey of 5-hydroxyundec-2-enoic acid?
The InChIKey is MWMIRIBJWGECFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-3-4-5-7-10(12)8-6-9-11(13)14/h6,9-10,12H,2-5,7-8H2,1H3,(H,13,14).
What are the key properties of 5-hydroxyundec-2-enoic acid?
5-hydroxyundec-2-enoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyundec-2-enoic acid is sourced from PubChem (CID 54094975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).