(Z)-5,5-dimethylnon-3-en-2-one

C11H20O — CID 143960256

IUPAC(Z)-5,5-dimethylnon-3-en-2-one
SMILESCCCCC(C)(C)/C=C\C(C)=O
InChIInChI=1S/C11H20O/c1-5-6-8-11(3,4)9-7-10(2)12/h7,9H,5-6,8H2,1-4H3/b9-7-
InChIKeySPXURBFJPAOZEL-CLFYSBASSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds5

About (Z)-5,5-dimethylnon-3-en-2-one

(Z)-5,5-dimethylnon-3-en-2-one (PubChem CID 143960256) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-5,5-dimethylnon-3-en-2-one.

Molecular Properties

Compound Name(Z)-5,5-dimethylnon-3-en-2-one
PubChem CID143960256
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(Z)-5,5-dimethylnon-3-en-2-one
SMILESCCCCC(C)(C)/C=C\C(C)=O
InChIInChI=1S/C11H20O/c1-5-6-8-11(3,4)9-7-10(2)12/h7,9H,5-6,8H2,1-4H3/b9-7-
InChIKeySPXURBFJPAOZEL-CLFYSBASSA-N
XLogP3.35
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 ≤ 53.35
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

3-Nonen-2-one
CID 5317045
Zerumbone
CID 5470187
7-Methyl-3-octen-2-one, (3E)-
CID 5363231
Methyl-delta-ionone
CID 5463913
Non-3-en-2-one
CID 26630
4,4-Dimethyl-2-cyclopenten-1-one
CID 140955
3-Nonen-2-one, 5-ethyl-
CID 6433525
2-Cyclohexen-1-one, 4,4-dimethyl-
CID 136839
3,9-Undecadien-2-one, 6,10-dimethyl-
CID 6438023
2,6,9,9-Tetramethyl-2,6,10-cycloundecatrien-1-one
CID 5372142
2,3-Di-tert-butylcyclohexa-2,5-diene-1,4-dione
CID 185798
(2Z,6Z,10Z)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
CID 5353004

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-dimethylnon-3-en-2-one?
The IUPAC name of (Z)-5,5-dimethylnon-3-en-2-one (CID 143960256) is (Z)-5,5-dimethylnon-3-en-2-one.
What is the SMILES notation for (Z)-5,5-dimethylnon-3-en-2-one?
The canonical SMILES for (Z)-5,5-dimethylnon-3-en-2-one is CCCCC(C)(C)/C=C\C(C)=O.
What is the InChIKey of (Z)-5,5-dimethylnon-3-en-2-one?
The InChIKey is SPXURBFJPAOZEL-CLFYSBASSA-N. The full InChI is InChI=1S/C11H20O/c1-5-6-8-11(3,4)9-7-10(2)12/h7,9H,5-6,8H2,1-4H3/b9-7-.
What are the key properties of (Z)-5,5-dimethylnon-3-en-2-one?
(Z)-5,5-dimethylnon-3-en-2-one has a molecular weight of 168.28 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-dimethylnon-3-en-2-one is sourced from PubChem (CID 143960256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).