(Z)-5,6-dimethylnon-5-en-4-one

C11H20O — CID 176967590

IUPAC(Z)-5,6-dimethylnon-5-en-4-one
SMILESCCCC(=O)/C(C)=C(/C)CCC
InChIInChI=1S/C11H20O/c1-5-7-9(3)10(4)11(12)8-6-2/h5-8H2,1-4H3/b10-9-
InChIKeyAGJPZJAAAFURCO-KTKRTIGZSA-N
MW168.28 g/mol
LogP3.49
Rot. Bonds5

About (Z)-5,6-dimethylnon-5-en-4-one

(Z)-5,6-dimethylnon-5-en-4-one (PubChem CID 176967590) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-5,6-dimethylnon-5-en-4-one.

Molecular Properties

Compound Name(Z)-5,6-dimethylnon-5-en-4-one
PubChem CID176967590
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(Z)-5,6-dimethylnon-5-en-4-one
SMILESCCCC(=O)/C(C)=C(/C)CCC
InChIInChI=1S/C11H20O/c1-5-7-9(3)10(4)11(12)8-6-2/h5-8H2,1-4H3/b10-9-
InChIKeyAGJPZJAAAFURCO-KTKRTIGZSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,6-dimethylnon-5-en-4-one?
The IUPAC name of (Z)-5,6-dimethylnon-5-en-4-one (CID 176967590) is (Z)-5,6-dimethylnon-5-en-4-one.
What is the SMILES notation for (Z)-5,6-dimethylnon-5-en-4-one?
The canonical SMILES for (Z)-5,6-dimethylnon-5-en-4-one is CCCC(=O)/C(C)=C(/C)CCC.
What is the InChIKey of (Z)-5,6-dimethylnon-5-en-4-one?
The InChIKey is AGJPZJAAAFURCO-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H20O/c1-5-7-9(3)10(4)11(12)8-6-2/h5-8H2,1-4H3/b10-9-.
What are the key properties of (Z)-5,6-dimethylnon-5-en-4-one?
(Z)-5,6-dimethylnon-5-en-4-one has a molecular weight of 168.28 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,6-dimethylnon-5-en-4-one is sourced from PubChem (CID 176967590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).