1-(2,6-dimethylphenyl)nonan-1-one

C17H26O — CID 114026790

IUPAC1-(2,6-dimethylphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1c(C)cccc1C
InChIInChI=1S/C17H26O/c1-4-5-6-7-8-9-13-16(18)17-14(2)11-10-12-15(17)3/h10-12H,4-9,13H2,1-3H3
InChIKeyAIWCOLSTRILIHS-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.24
Rot. Bonds8

About 1-(2,6-dimethylphenyl)nonan-1-one

1-(2,6-dimethylphenyl)nonan-1-one (PubChem CID 114026790) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)nonan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)nonan-1-one
PubChem CID114026790
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(2,6-dimethylphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1c(C)cccc1C
InChIInChI=1S/C17H26O/c1-4-5-6-7-8-9-13-16(18)17-14(2)11-10-12-15(17)3/h10-12H,4-9,13H2,1-3H3
InChIKeyAIWCOLSTRILIHS-UHFFFAOYSA-N
XLogP5.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2,6-difluorophenyl)octan-1-one
CID 79522078
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(2,6-dichlorophenyl)heptan-1-one
CID 114966663
1-(2-methoxy-6-methylphenyl)pentan-1-one
CID 83950102
1-(2,6-dimethoxyphenyl)decan-1-one
CID 114966448
1-(2-chloro-3-methylphenyl)octadecan-1-one
CID 174846983
1,4-dimethyl-3-octanoylpyridin-2-one
CID 150407905
1-(2,6-dimethylphenyl)undecan-2-one
CID 115792441
(Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one
CID 10948772
cobalt;octanoic acid;1,2-xylene
CID 175075701

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)nonan-1-one?
The IUPAC name of 1-(2,6-dimethylphenyl)nonan-1-one (CID 114026790) is 1-(2,6-dimethylphenyl)nonan-1-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)nonan-1-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)nonan-1-one is CCCCCCCCC(=O)c1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)nonan-1-one?
The InChIKey is AIWCOLSTRILIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-4-5-6-7-8-9-13-16(18)17-14(2)11-10-12-15(17)3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)nonan-1-one?
1-(2,6-dimethylphenyl)nonan-1-one has a molecular weight of 246.39 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)nonan-1-one is sourced from PubChem (CID 114026790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).