5-hydroxy-6,6-dimethylnon-2-enal

C11H20O2 — CID 123291920

IUPAC5-hydroxy-6,6-dimethylnon-2-enal
SMILESCCCC(C)(C)C(O)CC=CC=O
InChIInChI=1S/C11H20O2/c1-4-8-11(2,3)10(13)7-5-6-9-12/h5-6,9-10,13H,4,7-8H2,1-3H3
InChIKeyOJDGSSYGIZVOFF-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.32
Rot. Bonds6

About 5-hydroxy-6,6-dimethylnon-2-enal

5-hydroxy-6,6-dimethylnon-2-enal (PubChem CID 123291920) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-hydroxy-6,6-dimethylnon-2-enal.

Molecular Properties

Compound Name5-hydroxy-6,6-dimethylnon-2-enal
PubChem CID123291920
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-hydroxy-6,6-dimethylnon-2-enal
SMILESCCCC(C)(C)C(O)CC=CC=O
InChIInChI=1S/C11H20O2/c1-4-8-11(2,3)10(13)7-5-6-9-12/h5-6,9-10,13H,4,7-8H2,1-3H3
InChIKeyOJDGSSYGIZVOFF-UHFFFAOYSA-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-6-methyldec-2-enal
CID 87291408
3,3-dimethylhexane-1,2-diol
CID 54538112
(E)-5-hydroxy-4,5-dimethyloct-2-enal
CID 87291913
6,6-dimethyloct-2-enal
CID 91307971
(2R,3R,4R)-4-hydroxy-3-[(E,4R)-4-hydroxy-5,5-dimethyloct-1-enyl]-2-(7-hydroxyheptyl)cyclopentan-1-one
CID 22824668
(E)-5-methoxy-8,8-dimethylnon-2-enal
CID 87291744
(E)-hex-2-enal
CID 158800846
3-hydroxy-4,4-dimethyl-2-oxoheptanoic acid
CID 91510716
(Z,3S)-2,2-dimethyloct-5-en-3-ol
CID 158993926
5-hydroxy-5,8-dimethylnon-2-enal
CID 91343415
(E)-pent-2-enal
CID 5364752
(2E,6E)-4-hydroxynona-2,6-dienal
CID 6438523

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,6-dimethylnon-2-enal?
The IUPAC name of 5-hydroxy-6,6-dimethylnon-2-enal (CID 123291920) is 5-hydroxy-6,6-dimethylnon-2-enal.
What is the SMILES notation for 5-hydroxy-6,6-dimethylnon-2-enal?
The canonical SMILES for 5-hydroxy-6,6-dimethylnon-2-enal is CCCC(C)(C)C(O)CC=CC=O.
What is the InChIKey of 5-hydroxy-6,6-dimethylnon-2-enal?
The InChIKey is OJDGSSYGIZVOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-8-11(2,3)10(13)7-5-6-9-12/h5-6,9-10,13H,4,7-8H2,1-3H3.
What are the key properties of 5-hydroxy-6,6-dimethylnon-2-enal?
5-hydroxy-6,6-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 5-hydroxy-6,6-dimethylnon-2-enal is sourced from PubChem (CID 123291920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).