4-hydroxy-4,8-dimethylnon-7-enal

C11H20O2 — CID 15276827

IUPAC4-hydroxy-4,8-dimethylnon-7-enal
SMILESCC(C)=CCCC(C)(O)CCC=O
InChIInChI=1S/C11H20O2/c1-10(2)6-4-7-11(3,13)8-5-9-12/h6,9,13H,4-5,7-8H2,1-3H3
InChIKeyQTXDVHQMKODCJZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.46
Rot. Bonds6

About 4-hydroxy-4,8-dimethylnon-7-enal

4-hydroxy-4,8-dimethylnon-7-enal (PubChem CID 15276827) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-hydroxy-4,8-dimethylnon-7-enal.

Molecular Properties

Compound Name4-hydroxy-4,8-dimethylnon-7-enal
PubChem CID15276827
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-hydroxy-4,8-dimethylnon-7-enal
SMILESCC(C)=CCCC(C)(O)CCC=O
InChIInChI=1S/C11H20O2/c1-10(2)6-4-7-11(3,13)8-5-9-12/h6,9,13H,4-5,7-8H2,1-3H3
InChIKeyQTXDVHQMKODCJZ-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4,8-dimethylnon-7-enal?
The IUPAC name of 4-hydroxy-4,8-dimethylnon-7-enal (CID 15276827) is 4-hydroxy-4,8-dimethylnon-7-enal.
What is the SMILES notation for 4-hydroxy-4,8-dimethylnon-7-enal?
The canonical SMILES for 4-hydroxy-4,8-dimethylnon-7-enal is CC(C)=CCCC(C)(O)CCC=O.
What is the InChIKey of 4-hydroxy-4,8-dimethylnon-7-enal?
The InChIKey is QTXDVHQMKODCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)6-4-7-11(3,13)8-5-9-12/h6,9,13H,4-5,7-8H2,1-3H3.
What are the key properties of 4-hydroxy-4,8-dimethylnon-7-enal?
4-hydroxy-4,8-dimethylnon-7-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 4-hydroxy-4,8-dimethylnon-7-enal is sourced from PubChem (CID 15276827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).