1-(7-nonyl-9H-fluoren-2-yl)ethanone

C24H30O — CID 12721144

IUPAC1-(7-nonyl-9H-fluoren-2-yl)ethanone
SMILESCCCCCCCCCc1ccc2c(c1)Cc1cc(C(C)=O)ccc1-2
InChIInChI=1S/C24H30O/c1-3-4-5-6-7-8-9-10-19-11-13-23-21(15-19)17-22-16-20(18(2)25)12-14-24(22)23/h11-16H,3-10,17H2,1-2H3
InChIKeyCYOTVBMNUPARST-UHFFFAOYSA-N
MW334.50 g/mol
LogP6.75
Rot. Bonds9

About 1-(7-nonyl-9H-fluoren-2-yl)ethanone

1-(7-nonyl-9H-fluoren-2-yl)ethanone (PubChem CID 12721144) has the molecular formula C24H30O and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-(7-nonyl-9H-fluoren-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-nonyl-9H-fluoren-2-yl)ethanone
PubChem CID12721144
Molecular FormulaC24H30O
Molecular Weight334.50 g/mol
Exact Mass334.23
IUPAC Name1-(7-nonyl-9H-fluoren-2-yl)ethanone
SMILESCCCCCCCCCc1ccc2c(c1)Cc1cc(C(C)=O)ccc1-2
InChIInChI=1S/C24H30O/c1-3-4-5-6-7-8-9-10-19-11-13-23-21(15-19)17-22-16-20(18(2)25)12-14-24(22)23/h11-16H,3-10,17H2,1-2H3
InChIKeyCYOTVBMNUPARST-UHFFFAOYSA-N
XLogP6.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 56.75
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

2-hexyl-9H-fluorene
CID 2801684
2-decyl-9H-fluorene
CID 21095311
1-[7-(3-hexylnonyl)-9H-fluoren-2-yl]pentan-1-one
CID 71397015
ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
1-[4-(4-hexyl-2-methylphenyl)phenyl]ethanone
CID 142228673
1-[7-[2-(4-bromophenyl)ethyl]-9H-fluoren-2-yl]pentan-1-one
CID 2801674
(E)-N-[(E)-1-(7-octyl-9,10-dihydrophenanthren-2-yl)ethylideneamino]propan-2-imine
CID 172934411
3-tricosyl-9H-fluorene
CID 141426174
3-hexyl-9H-fluorene
CID 141425158
3-docosyl-9H-fluorene
CID 141425169
(4-octylphenyl) 7-octan-2-yloxy-9H-fluorene-2-carboxylate
CID 54040841
3,9-dihexyl-12,14-dihydropentacene-5,7-dione
CID 23586534

Frequently Asked Questions

What is the IUPAC name of 1-(7-nonyl-9H-fluoren-2-yl)ethanone?
The IUPAC name of 1-(7-nonyl-9H-fluoren-2-yl)ethanone (CID 12721144) is 1-(7-nonyl-9H-fluoren-2-yl)ethanone.
What is the SMILES notation for 1-(7-nonyl-9H-fluoren-2-yl)ethanone?
The canonical SMILES for 1-(7-nonyl-9H-fluoren-2-yl)ethanone is CCCCCCCCCc1ccc2c(c1)Cc1cc(C(C)=O)ccc1-2.
What is the InChIKey of 1-(7-nonyl-9H-fluoren-2-yl)ethanone?
The InChIKey is CYOTVBMNUPARST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O/c1-3-4-5-6-7-8-9-10-19-11-13-23-21(15-19)17-22-16-20(18(2)25)12-14-24(22)23/h11-16H,3-10,17H2,1-2H3.
What are the key properties of 1-(7-nonyl-9H-fluoren-2-yl)ethanone?
1-(7-nonyl-9H-fluoren-2-yl)ethanone has a molecular weight of 334.50 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-nonyl-9H-fluoren-2-yl)ethanone is sourced from PubChem (CID 12721144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).