(E)-5-hydroxy-2,5-dimethyloct-2-enal

C10H18O2 — CID 87291268

IUPAC(E)-5-hydroxy-2,5-dimethyloct-2-enal
SMILESCCCC(C)(O)C/C=C(\C)C=O
InChIInChI=1S/C10H18O2/c1-4-6-10(3,12)7-5-9(2)8-11/h5,8,12H,4,6-7H2,1-3H3/b9-5+
InChIKeyKNIIBMXRJZJFPL-WEVVVXLNSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds5

About (E)-5-hydroxy-2,5-dimethyloct-2-enal

(E)-5-hydroxy-2,5-dimethyloct-2-enal (PubChem CID 87291268) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-5-hydroxy-2,5-dimethyloct-2-enal.

Molecular Properties

Compound Name(E)-5-hydroxy-2,5-dimethyloct-2-enal
PubChem CID87291268
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-5-hydroxy-2,5-dimethyloct-2-enal
SMILESCCCC(C)(O)C/C=C(\C)C=O
InChIInChI=1S/C10H18O2/c1-4-6-10(3,12)7-5-9(2)8-11/h5,8,12H,4,6-7H2,1-3H3/b9-5+
InChIKeyKNIIBMXRJZJFPL-WEVVVXLNSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

5-hydroxy-2,5-dimethylnon-2-enal
CID 91294646
(4R)-4,8-dimethylnon-7-en-4-ol
CID 90181485
2,5,5,9-tetramethyl-6-oxodeca-2,7,9-trienal
CID 71408786
6-hydroxy-6-methylnonan-2-one
CID 90772739
(E)-2-methyl-5-oxooct-2-enal
CID 88682989
sodium;hydride;3-methylhexan-3-ol
CID 175384887
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
(3R)-3,6-dimethylhept-5-ene-1,3-diol
CID 154719567
5-hydroxy-5-methyloctan-3-one
CID 87431906
2-methyl-4-(3-methyl-4-oxobut-2-enyl)sulfanylbut-2-enal
CID 57077707
(3R)-3-butyl-3,7-dimethyloct-6-enal
CID 132528865
2-methyl-3-(propylamino)prop-2-enal;hydrochloride
CID 175310353

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-2,5-dimethyloct-2-enal?
The IUPAC name of (E)-5-hydroxy-2,5-dimethyloct-2-enal (CID 87291268) is (E)-5-hydroxy-2,5-dimethyloct-2-enal.
What is the SMILES notation for (E)-5-hydroxy-2,5-dimethyloct-2-enal?
The canonical SMILES for (E)-5-hydroxy-2,5-dimethyloct-2-enal is CCCC(C)(O)C/C=C(\C)C=O.
What is the InChIKey of (E)-5-hydroxy-2,5-dimethyloct-2-enal?
The InChIKey is KNIIBMXRJZJFPL-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-10(3,12)7-5-9(2)8-11/h5,8,12H,4,6-7H2,1-3H3/b9-5+.
What are the key properties of (E)-5-hydroxy-2,5-dimethyloct-2-enal?
(E)-5-hydroxy-2,5-dimethyloct-2-enal has a molecular weight of 170.25 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-2,5-dimethyloct-2-enal is sourced from PubChem (CID 87291268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).