5-hydroxy-2,5-dimethylnon-2-enal

C11H20O2 — CID 91294646

IUPAC5-hydroxy-2,5-dimethylnon-2-enal
SMILESCCCCC(C)(O)CC=C(C)C=O
InChIInChI=1S/C11H20O2/c1-4-5-7-11(3,13)8-6-10(2)9-12/h6,9,13H,4-5,7-8H2,1-3H3
InChIKeyFQCVTILKPQJEJO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.46
Rot. Bonds6

About 5-hydroxy-2,5-dimethylnon-2-enal

5-hydroxy-2,5-dimethylnon-2-enal (PubChem CID 91294646) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-hydroxy-2,5-dimethylnon-2-enal.

Molecular Properties

Compound Name5-hydroxy-2,5-dimethylnon-2-enal
PubChem CID91294646
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-hydroxy-2,5-dimethylnon-2-enal
SMILESCCCCC(C)(O)CC=C(C)C=O
InChIInChI=1S/C11H20O2/c1-4-5-7-11(3,13)8-6-10(2)9-12/h6,9,13H,4-5,7-8H2,1-3H3
InChIKeyFQCVTILKPQJEJO-UHFFFAOYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,5-dimethylnon-2-enal?
The IUPAC name of 5-hydroxy-2,5-dimethylnon-2-enal (CID 91294646) is 5-hydroxy-2,5-dimethylnon-2-enal.
What is the SMILES notation for 5-hydroxy-2,5-dimethylnon-2-enal?
The canonical SMILES for 5-hydroxy-2,5-dimethylnon-2-enal is CCCCC(C)(O)CC=C(C)C=O.
What is the InChIKey of 5-hydroxy-2,5-dimethylnon-2-enal?
The InChIKey is FQCVTILKPQJEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-7-11(3,13)8-6-10(2)9-12/h6,9,13H,4-5,7-8H2,1-3H3.
What are the key properties of 5-hydroxy-2,5-dimethylnon-2-enal?
5-hydroxy-2,5-dimethylnon-2-enal has a molecular weight of 184.28 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,5-dimethylnon-2-enal is sourced from PubChem (CID 91294646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).