(E)-5-hydroxy-2,6-dimethylnon-2-enal

C11H20O2 — CID 87291633

IUPAC(E)-5-hydroxy-2,6-dimethylnon-2-enal
SMILESCCCC(C)C(O)C/C=C(\C)C=O
InChIInChI=1S/C11H20O2/c1-4-5-10(3)11(13)7-6-9(2)8-12/h6,8,10-11,13H,4-5,7H2,1-3H3/b9-6+
InChIKeyOGPFRIBPPIQFHX-RMKNXTFCSA-N
MW184.28 g/mol
LogP2.32
Rot. Bonds6

About (E)-5-hydroxy-2,6-dimethylnon-2-enal

(E)-5-hydroxy-2,6-dimethylnon-2-enal (PubChem CID 87291633) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-5-hydroxy-2,6-dimethylnon-2-enal.

Molecular Properties

Compound Name(E)-5-hydroxy-2,6-dimethylnon-2-enal
PubChem CID87291633
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-5-hydroxy-2,6-dimethylnon-2-enal
SMILESCCCC(C)C(O)C/C=C(\C)C=O
InChIInChI=1S/C11H20O2/c1-4-5-10(3)11(13)7-6-9(2)8-12/h6,8,10-11,13H,4-5,7H2,1-3H3/b9-6+
InChIKeyOGPFRIBPPIQFHX-RMKNXTFCSA-N
XLogP2.32
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 ≤ 52.32
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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Related Compounds

(E)-5-hydroxy-2-methylnon-2-enal
CID 87291265
(E)-2,5,6-trimethylhept-2-enal
CID 14817968
5-methoxy-2-methyloct-2-enal
CID 90686162
(E)-5-hydroxy-2-methyldec-2-enal
CID 87291784
(E)-5-hydroxy-2,7-dimethyloct-2-enal
CID 87292232
ethane;5-methyloct-1-en-4-ol
CID 142059047
(E,5R)-5-hydroxy-2-methyl-6-oxohept-2-enal
CID 102584112
(4R)-4-methylheptan-3-ol
CID 12799251
3,6,7-trimethyldec-3-ene
CID 123818084
5,5-difluoro-2-methylpent-2-enal;2,5,5-trifluoropent-2-enal
CID 159692131
(3R,4S)-3,7-dimethyloct-6-ene-1,4-diol
CID 162944797
(E)-2,10,16-trimethyldocos-2-enal
CID 14804078

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-2,6-dimethylnon-2-enal?
The IUPAC name of (E)-5-hydroxy-2,6-dimethylnon-2-enal (CID 87291633) is (E)-5-hydroxy-2,6-dimethylnon-2-enal.
What is the SMILES notation for (E)-5-hydroxy-2,6-dimethylnon-2-enal?
The canonical SMILES for (E)-5-hydroxy-2,6-dimethylnon-2-enal is CCCC(C)C(O)C/C=C(\C)C=O.
What is the InChIKey of (E)-5-hydroxy-2,6-dimethylnon-2-enal?
The InChIKey is OGPFRIBPPIQFHX-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-10(3)11(13)7-6-9(2)8-12/h6,8,10-11,13H,4-5,7H2,1-3H3/b9-6+.
What are the key properties of (E)-5-hydroxy-2,6-dimethylnon-2-enal?
(E)-5-hydroxy-2,6-dimethylnon-2-enal has a molecular weight of 184.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-2,6-dimethylnon-2-enal is sourced from PubChem (CID 87291633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).