(E)-5-hydroxy-2-methylnon-2-enal

C10H18O2 — CID 87291265

IUPAC(E)-5-hydroxy-2-methylnon-2-enal
SMILESCCCCC(O)C/C=C(\C)C=O
InChIInChI=1S/C10H18O2/c1-3-4-5-10(12)7-6-9(2)8-11/h6,8,10,12H,3-5,7H2,1-2H3/b9-6+
InChIKeyDJOKSDVWWJZWSR-RMKNXTFCSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds6

About (E)-5-hydroxy-2-methylnon-2-enal

(E)-5-hydroxy-2-methylnon-2-enal (PubChem CID 87291265) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-5-hydroxy-2-methylnon-2-enal.

Molecular Properties

Compound Name(E)-5-hydroxy-2-methylnon-2-enal
PubChem CID87291265
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-5-hydroxy-2-methylnon-2-enal
SMILESCCCCC(O)C/C=C(\C)C=O
InChIInChI=1S/C10H18O2/c1-3-4-5-10(12)7-6-9(2)8-11/h6,8,10,12H,3-5,7H2,1-2H3/b9-6+
InChIKeyDJOKSDVWWJZWSR-RMKNXTFCSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.07
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-methyldec-2-enal
CID 87291784
(3S)-3-hydroxyheptanal
CID 15258469
(E)-5-hydroxy-2,6-dimethylnon-2-enal
CID 87291633
3-hydroxyheptadecanal
CID 15268158
5-hydroxy-2-methyltridec-2-enoic acid
CID 123675074
5-methoxy-2-methyloct-2-enal
CID 90686162
acetic acid;nonan-5-ol
CID 53445479
(E,5R)-5-hydroxy-2-methyl-6-oxohept-2-enal
CID 102584112
N-(4-hydroxyoct-1-enyl)formamide
CID 57251657
CID 172776718
CID 172776718
(E)-2,10,16-trimethyldocos-2-enal
CID 14804078
6-hydroxydecanal
CID 86178467

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-2-methylnon-2-enal?
The IUPAC name of (E)-5-hydroxy-2-methylnon-2-enal (CID 87291265) is (E)-5-hydroxy-2-methylnon-2-enal.
What is the SMILES notation for (E)-5-hydroxy-2-methylnon-2-enal?
The canonical SMILES for (E)-5-hydroxy-2-methylnon-2-enal is CCCCC(O)C/C=C(\C)C=O.
What is the InChIKey of (E)-5-hydroxy-2-methylnon-2-enal?
The InChIKey is DJOKSDVWWJZWSR-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-10(12)7-6-9(2)8-11/h6,8,10,12H,3-5,7H2,1-2H3/b9-6+.
What are the key properties of (E)-5-hydroxy-2-methylnon-2-enal?
(E)-5-hydroxy-2-methylnon-2-enal has a molecular weight of 170.25 g/mol, XLogP of 2.07, 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-methylnon-2-enal is sourced from PubChem (CID 87291265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).