(E)-5-hydroxy-4-methylnon-3-en-2-one

C10H18O2 — CID 87291496

IUPAC(E)-5-hydroxy-4-methylnon-3-en-2-one
SMILESCCCCC(O)/C(C)=C/C(C)=O
InChIInChI=1S/C10H18O2/c1-4-5-6-10(12)8(2)7-9(3)11/h7,10,12H,4-6H2,1-3H3/b8-7+
InChIKeyVYZSISXEVGJPTH-BQYQJAHWSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds5

About (E)-5-hydroxy-4-methylnon-3-en-2-one

(E)-5-hydroxy-4-methylnon-3-en-2-one (PubChem CID 87291496) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-5-hydroxy-4-methylnon-3-en-2-one.

Molecular Properties

Compound Name(E)-5-hydroxy-4-methylnon-3-en-2-one
PubChem CID87291496
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-5-hydroxy-4-methylnon-3-en-2-one
SMILESCCCCC(O)/C(C)=C/C(C)=O
InChIInChI=1S/C10H18O2/c1-4-5-6-10(12)8(2)7-9(3)11/h7,10,12H,4-6H2,1-3H3/b8-7+
InChIKeyVYZSISXEVGJPTH-BQYQJAHWSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-hydroxy-4-methylhept-3-en-2-one
CID 87291528
5-hydroxy-4-methylhept-3-en-2-one
CID 90770625
(E)-2-butyl-3-methyl-5-oxohex-3-enoic acid
CID 11715353
(2R)-2-hydroxyhexanoic acid
CID 6995511
2-methyloct-1-ene-1,3-diol
CID 173308753
(E)-4,5-dimethyloct-3-en-2-one
CID 87291379
(E)-5-methoxy-4-methyldec-3-en-2-one
CID 87291179
(E)-5-hydroxy-4,7-dimethylnon-3-en-2-one
CID 87291171
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
ethane;2-hydroxyhexanoic acid
CID 20976061
magnesium bis(2-hydroxyhexanoate)
CID 139844837
S-(2-hydroxyhexanoyl) 2-hydroxyhexanethioate
CID 142742041

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-4-methylnon-3-en-2-one?
The IUPAC name of (E)-5-hydroxy-4-methylnon-3-en-2-one (CID 87291496) is (E)-5-hydroxy-4-methylnon-3-en-2-one.
What is the SMILES notation for (E)-5-hydroxy-4-methylnon-3-en-2-one?
The canonical SMILES for (E)-5-hydroxy-4-methylnon-3-en-2-one is CCCCC(O)/C(C)=C/C(C)=O.
What is the InChIKey of (E)-5-hydroxy-4-methylnon-3-en-2-one?
The InChIKey is VYZSISXEVGJPTH-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-10(12)8(2)7-9(3)11/h7,10,12H,4-6H2,1-3H3/b8-7+.
What are the key properties of (E)-5-hydroxy-4-methylnon-3-en-2-one?
(E)-5-hydroxy-4-methylnon-3-en-2-one 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-4-methylnon-3-en-2-one is sourced from PubChem (CID 87291496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).