(E)-5-hydroxy-7,8-dimethylnon-3-en-2-one

C11H20O2 — CID 87291906

IUPAC(E)-5-hydroxy-7,8-dimethylnon-3-en-2-one
SMILESCC(=O)/C=C/C(O)CC(C)C(C)C
InChIInChI=1S/C11H20O2/c1-8(2)9(3)7-11(13)6-5-10(4)12/h5-6,8-9,11,13H,7H2,1-4H3/b6-5+
InChIKeyZBNQRAHDEYICOC-AATRIKPKSA-N
MW184.28 g/mol
LogP2.17
Rot. Bonds5

About (E)-5-hydroxy-7,8-dimethylnon-3-en-2-one

(E)-5-hydroxy-7,8-dimethylnon-3-en-2-one (PubChem CID 87291906) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-5-hydroxy-7,8-dimethylnon-3-en-2-one.

Molecular Properties

Compound Name(E)-5-hydroxy-7,8-dimethylnon-3-en-2-one
PubChem CID87291906
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-5-hydroxy-7,8-dimethylnon-3-en-2-one
SMILESCC(=O)/C=C/C(O)CC(C)C(C)C
InChIInChI=1S/C11H20O2/c1-8(2)9(3)7-11(13)6-5-10(4)12/h5-6,8-9,11,13H,7H2,1-4H3/b6-5+
InChIKeyZBNQRAHDEYICOC-AATRIKPKSA-N
XLogP2.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-7,8-dimethylnon-3-en-2-one?
The IUPAC name of (E)-5-hydroxy-7,8-dimethylnon-3-en-2-one (CID 87291906) is (E)-5-hydroxy-7,8-dimethylnon-3-en-2-one.
What is the SMILES notation for (E)-5-hydroxy-7,8-dimethylnon-3-en-2-one?
The canonical SMILES for (E)-5-hydroxy-7,8-dimethylnon-3-en-2-one is CC(=O)/C=C/C(O)CC(C)C(C)C.
What is the InChIKey of (E)-5-hydroxy-7,8-dimethylnon-3-en-2-one?
The InChIKey is ZBNQRAHDEYICOC-AATRIKPKSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)9(3)7-11(13)6-5-10(4)12/h5-6,8-9,11,13H,7H2,1-4H3/b6-5+.
What are the key properties of (E)-5-hydroxy-7,8-dimethylnon-3-en-2-one?
(E)-5-hydroxy-7,8-dimethylnon-3-en-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-7,8-dimethylnon-3-en-2-one is sourced from PubChem (CID 87291906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).