1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone

C17H24O2 — CID 43800532

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone
SMILESCC(C)CCCOCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H24O2/c1-13(2)5-4-10-19-12-17(18)16-9-8-14-6-3-7-15(14)11-16/h8-9,11,13H,3-7,10,12H2,1-2H3
InChIKeyXOBZORGVUFEOJM-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.81
Rot. Bonds7

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone (PubChem CID 43800532) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone
PubChem CID43800532
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone
SMILESCC(C)CCCOCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H24O2/c1-13(2)5-4-10-19-12-17(18)16-9-8-14-6-3-7-15(14)11-16/h8-9,11,13H,3-7,10,12H2,1-2H3
InChIKeyXOBZORGVUFEOJM-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 43801226
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methylbutylsulfanyl)ethanone
CID 107752852
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412758
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone
CID 61288416
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-propan-2-yloxybenzoate
CID 7210443
4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-4-oxobutanoic acid
CID 20509536
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
CID 114873977
N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide
CID 115409893
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778139

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone (CID 43800532) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone is CC(C)CCCOCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone?
The InChIKey is XOBZORGVUFEOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13(2)5-4-10-19-12-17(18)16-9-8-14-6-3-7-15(14)11-16/h8-9,11,13H,3-7,10,12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone has a molecular weight of 260.38 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone is sourced from PubChem (CID 43800532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).