(E)-8-hydroxy-5-methyloct-5-en-2-one

C9H16O2 — CID 102321147

IUPAC(E)-8-hydroxy-5-methyloct-5-en-2-one
SMILESCC(=O)CC/C(C)=C/CCO
InChIInChI=1S/C9H16O2/c1-8(4-3-7-10)5-6-9(2)11/h4,10H,3,5-7H2,1-2H3/b8-4+
InChIKeyKKIXFTMSOVRLSH-XBXARRHUSA-N
MW156.22 g/mol
LogP1.68
Rot. Bonds5

About (E)-8-hydroxy-5-methyloct-5-en-2-one

(E)-8-hydroxy-5-methyloct-5-en-2-one (PubChem CID 102321147) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (E)-8-hydroxy-5-methyloct-5-en-2-one.

Molecular Properties

Compound Name(E)-8-hydroxy-5-methyloct-5-en-2-one
PubChem CID102321147
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(E)-8-hydroxy-5-methyloct-5-en-2-one
SMILESCC(=O)CC/C(C)=C/CCO
InChIInChI=1S/C9H16O2/c1-8(4-3-7-10)5-6-9(2)11/h4,10H,3,5-7H2,1-2H3/b8-4+
InChIKeyKKIXFTMSOVRLSH-XBXARRHUSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
CID 44586967
e-2-Methyl-2-hepten-6-one-1-ol
CID 10964618
Oxocrinol
CID 11009617
(E)-8-hydroxy-6-methyl-6-octen-3-one
CID 643141
15-Hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
CID 53674925
(E)-8-hydroxy-6-methyloct-6-en-2-one
CID 13607312
z-2-Methyl-2-hepten-6-one-1-ol
CID 11126377
(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one
CID 10443111
(3S)-3-hydroxy-6-methylhept-5-en-2-one
CID 11171036
(3R)-3-hydroxy-6-methylhept-5-en-2-one
CID 59990595
2-(2'-trans-Pentenyl-5'-hydroxy)-3-methyl-2-cyclopenten-1-one
CID 171118576
12-Hydroxy-6,10-dimethyldodeca-6,10-dien-2-one
CID 85365399

Frequently Asked Questions

What is the IUPAC name of (E)-8-hydroxy-5-methyloct-5-en-2-one?
The IUPAC name of (E)-8-hydroxy-5-methyloct-5-en-2-one (CID 102321147) is (E)-8-hydroxy-5-methyloct-5-en-2-one.
What is the SMILES notation for (E)-8-hydroxy-5-methyloct-5-en-2-one?
The canonical SMILES for (E)-8-hydroxy-5-methyloct-5-en-2-one is CC(=O)CC/C(C)=C/CCO.
What is the InChIKey of (E)-8-hydroxy-5-methyloct-5-en-2-one?
The InChIKey is KKIXFTMSOVRLSH-XBXARRHUSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(4-3-7-10)5-6-9(2)11/h4,10H,3,5-7H2,1-2H3/b8-4+.
What are the key properties of (E)-8-hydroxy-5-methyloct-5-en-2-one?
(E)-8-hydroxy-5-methyloct-5-en-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-hydroxy-5-methyloct-5-en-2-one is sourced from PubChem (CID 102321147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).