(Z)-6,7-dimethylnon-7-en-3-one

C11H20O — CID 155583051

IUPAC(Z)-6,7-dimethylnon-7-en-3-one
SMILESC/C=C(/C)C(C)CCC(=O)CC
InChIInChI=1S/C11H20O/c1-5-9(3)10(4)7-8-11(12)6-2/h5,10H,6-8H2,1-4H3/b9-5-
InChIKeyOSMQLCDTONTAKF-UITAMQMPSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds5

About (Z)-6,7-dimethylnon-7-en-3-one

(Z)-6,7-dimethylnon-7-en-3-one (PubChem CID 155583051) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-6,7-dimethylnon-7-en-3-one.

Molecular Properties

Compound Name(Z)-6,7-dimethylnon-7-en-3-one
PubChem CID155583051
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(Z)-6,7-dimethylnon-7-en-3-one
SMILESC/C=C(/C)C(C)CCC(=O)CC
InChIInChI=1S/C11H20O/c1-5-9(3)10(4)7-8-11(12)6-2/h5,10H,6-8H2,1-4H3/b9-5-
InChIKeyOSMQLCDTONTAKF-UITAMQMPSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-7-propan-2-yldeca-2,7-diene
CID 123965899
(6S)-6-hydroxyheptan-3-one
CID 163026982
(6R)-6-methylnonan-3-one
CID 11805013
6,6-dichlorohexan-3-one
CID 15669105
(E)-4,5-dimethyloct-3-en-2-one
CID 87291379
6-hydroxyoctan-3-one
CID 15920952
ethane;7-methyloctan-3-one
CID 142816942
9-ethylundecane-3,6-dione
CID 174193885
hexacosane-3,6,9,12,15,18,21,24-octone
CID 175857763
(2S)-2-[[8-[[(1S)-1-carboxy-4-oxohexyl]amino]-8-oxooctanoyl]amino]-6-methyl-5-oxoheptanoic acid
CID 137425847
7-cyclopentyl-6-hydroxyheptan-3-one
CID 103159212
6-hydroxytritriacontan-3-one
CID 163195749

Frequently Asked Questions

What is the IUPAC name of (Z)-6,7-dimethylnon-7-en-3-one?
The IUPAC name of (Z)-6,7-dimethylnon-7-en-3-one (CID 155583051) is (Z)-6,7-dimethylnon-7-en-3-one.
What is the SMILES notation for (Z)-6,7-dimethylnon-7-en-3-one?
The canonical SMILES for (Z)-6,7-dimethylnon-7-en-3-one is C/C=C(/C)C(C)CCC(=O)CC.
What is the InChIKey of (Z)-6,7-dimethylnon-7-en-3-one?
The InChIKey is OSMQLCDTONTAKF-UITAMQMPSA-N. The full InChI is InChI=1S/C11H20O/c1-5-9(3)10(4)7-8-11(12)6-2/h5,10H,6-8H2,1-4H3/b9-5-.
What are the key properties of (Z)-6,7-dimethylnon-7-en-3-one?
(Z)-6,7-dimethylnon-7-en-3-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)-6,7-dimethylnon-7-en-3-one is sourced from PubChem (CID 155583051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).