5-octyl-2,3-dihydroinden-1-one

C17H24O — CID 67248522

IUPAC5-octyl-2,3-dihydroinden-1-one
SMILESCCCCCCCCc1ccc2c(c1)CCC2=O
InChIInChI=1S/C17H24O/c1-2-3-4-5-6-7-8-14-9-11-16-15(13-14)10-12-17(16)18/h9,11,13H,2-8,10,12H2,1H3
InChIKeyJAVRHWDTJKUWOJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.72
Rot. Bonds7

About 5-octyl-2,3-dihydroinden-1-one

5-octyl-2,3-dihydroinden-1-one (PubChem CID 67248522) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-octyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-octyl-2,3-dihydroinden-1-one
PubChem CID67248522
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name5-octyl-2,3-dihydroinden-1-one
SMILESCCCCCCCCc1ccc2c(c1)CCC2=O
InChIInChI=1S/C17H24O/c1-2-3-4-5-6-7-8-14-9-11-16-15(13-14)10-12-17(16)18/h9,11,13H,2-8,10,12H2,1H3
InChIKeyJAVRHWDTJKUWOJ-UHFFFAOYSA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.72
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

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2-decyl-9H-fluorene
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5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
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CID 159085021
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6-pentyl-4H-isochromene-1,3-dione
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2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
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2-octylanthracene-9,10-dione
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Frequently Asked Questions

What is the IUPAC name of 5-octyl-2,3-dihydroinden-1-one?
The IUPAC name of 5-octyl-2,3-dihydroinden-1-one (CID 67248522) is 5-octyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-octyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5-octyl-2,3-dihydroinden-1-one is CCCCCCCCc1ccc2c(c1)CCC2=O.
What is the InChIKey of 5-octyl-2,3-dihydroinden-1-one?
The InChIKey is JAVRHWDTJKUWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-2-3-4-5-6-7-8-14-9-11-16-15(13-14)10-12-17(16)18/h9,11,13H,2-8,10,12H2,1H3.
What are the key properties of 5-octyl-2,3-dihydroinden-1-one?
5-octyl-2,3-dihydroinden-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 67248522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).