5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one

C16H24O2 — CID 142675602

IUPAC5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one
SMILESCCCCCCC1(OC)C=CC2=C(CCC2=O)C1
InChIInChI=1S/C16H24O2/c1-3-4-5-6-10-16(18-2)11-9-14-13(12-16)7-8-15(14)17/h9,11H,3-8,10,12H2,1-2H3
InChIKeyWYGJIZBWRJJHCD-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.96
Rot. Bonds6

About 5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one

5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one (PubChem CID 142675602) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one.

Molecular Properties

Compound Name5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one
PubChem CID142675602
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one
SMILESCCCCCCC1(OC)C=CC2=C(CCC2=O)C1
InChIInChI=1S/C16H24O2/c1-3-4-5-6-10-16(18-2)11-9-14-13(12-16)7-8-15(14)17/h9,11H,3-8,10,12H2,1-2H3
InChIKeyWYGJIZBWRJJHCD-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-Oxopropyl)-1,3,4,5,6,7-hexahydrocyclopenta[e][2]benzofuran-8-one
CID 134850959
1-[2-(3-Methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one
CID 138974955
1-[(1E)-2-(3-methoxyprop-1-en-2-yl)cycloocten-1-yl]-2-methylbut-3-en-1-one
CID 138975452
2-(Cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 139248711
3-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-2,4,4-trimethylcyclohex-2-en-1-one
CID 23324282
1-(3-Oxo-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-methoxy-3-methyl-1,4-pentadiene
CID 54345317
3-[(3E,5E,7E,9E,11Z)-2-methoxy-3,7-dimethyltrideca-3,5,7,9,11-pentaenyl]-2,4,4,6-tetramethylcyclohex-2-en-1-one
CID 59946434
5-Methoxy-2,3,4,5-tetrahydroinden-1-one
CID 141003779
7-Methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one
CID 141318141
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)decan-1-one
CID 149661448
1-(1-Methoxy-2-methylcyclopenta-2,4-dien-1-yl)-8-methylnonan-1-one
CID 150777582
1-(1-Methoxy-2-methylcyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one
CID 151207243

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one?
The IUPAC name of 5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one (CID 142675602) is 5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one.
What is the SMILES notation for 5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one?
The canonical SMILES for 5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one is CCCCCCC1(OC)C=CC2=C(CCC2=O)C1.
What is the InChIKey of 5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one?
The InChIKey is WYGJIZBWRJJHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-4-5-6-10-16(18-2)11-9-14-13(12-16)7-8-15(14)17/h9,11H,3-8,10,12H2,1-2H3.
What are the key properties of 5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one?
5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one has a molecular weight of 248.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one is sourced from PubChem (CID 142675602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).