1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one

C19H22O — CID 114939059

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one
SMILESCCCCCCC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H22O/c1-2-3-4-5-9-18(20)16-13-12-15-11-10-14-7-6-8-17(16)19(14)15/h6-8,12-13H,2-5,9-11H2,1H3
InChIKeyFQFFWWNDHZUVSW-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.09
Rot. Bonds6

About 1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one

1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one (PubChem CID 114939059) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one
PubChem CID114939059
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one
SMILESCCCCCCC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H22O/c1-2-3-4-5-9-18(20)16-13-12-15-11-10-14-7-6-8-17(16)19(14)15/h6-8,12-13H,2-5,9-11H2,1H3
InChIKeyFQFFWWNDHZUVSW-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.09
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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1-(1,2-dihydroacenaphthylen-5-yl)-3-methylpentan-1-one
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1-(9H-fluoren-1-yl)hexadecan-1-one
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1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one
CID 114939092
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CID 68839218
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239
(3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1162506
4-(diethylamino)-1-[6-[4-(diethylamino)butanoyl]-1,2-dihydroacenaphthylen-3-yl]butan-1-one;dihydrochloride
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1-quinolin-5-ylhexan-1-one
CID 115789824
1-quinolin-4-yldecan-1-one
CID 105086389

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one (CID 114939059) is 1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one is CCCCCCC(=O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one?
The InChIKey is FQFFWWNDHZUVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-2-3-4-5-9-18(20)16-13-12-15-11-10-14-7-6-8-17(16)19(14)15/h6-8,12-13H,2-5,9-11H2,1H3.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one?
1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one has a molecular weight of 266.38 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)heptan-1-one is sourced from PubChem (CID 114939059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).