1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one

C15H22O — CID 141196217

IUPAC1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one
SMILESCCCCCC1(C)CCC2=C1C=CCC2=O
InChIInChI=1S/C15H22O/c1-3-4-5-10-15(2)11-9-12-13(15)7-6-8-14(12)16/h6-7H,3-5,8-11H2,1-2H3
InChIKeyFOKQLGGHHVGRPH-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.19
Rot. Bonds4

About 1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one

1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one (PubChem CID 141196217) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one.

Molecular Properties

Compound Name1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one
PubChem CID141196217
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one
SMILESCCCCCC1(C)CCC2=C1C=CCC2=O
InChIInChI=1S/C15H22O/c1-3-4-5-10-15(2)11-9-12-13(15)7-6-8-14(12)16/h6-7H,3-5,8-11H2,1-2H3
InChIKeyFOKQLGGHHVGRPH-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-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

(2S)-2-decyl-2-methylcyclohexan-1-one
CID 102124069
4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene
CID 19606735
2-hexyl-2,5,5-trimethylcyclopentan-1-one
CID 23346843
(2S)-2-butyl-2-methylcyclohexan-1-one
CID 10080777
(3S)-3-methyl-3-pentyloxiran-2-one
CID 140973351
3-methyl-3-undecyloxolane-2,5-dione
CID 139886966
1-butyl-1-methyl-2-propan-2-ylidenecyclobutane
CID 123702503
heptane;pyrrole-2,5-dione
CID 159979894
(3R)-3-methyl-3-pentadecyloxiran-2-one
CID 140973350
3-butyl-3,5-dimethyl-1,2-dihydroindene
CID 59994805
1-methyl-1-pentylcyclopropane
CID 524644
6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde
CID 102512466

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one?
The IUPAC name of 1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one (CID 141196217) is 1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one.
What is the SMILES notation for 1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one?
The canonical SMILES for 1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one is CCCCCC1(C)CCC2=C1C=CCC2=O.
What is the InChIKey of 1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one?
The InChIKey is FOKQLGGHHVGRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-3-4-5-10-15(2)11-9-12-13(15)7-6-8-14(12)16/h6-7H,3-5,8-11H2,1-2H3.
What are the key properties of 1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one?
1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one has a molecular weight of 218.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-pentyl-3,5-dihydro-2H-inden-4-one is sourced from PubChem (CID 141196217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).