1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one

C24H30O2 — CID 174651473

IUPAC1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one
SMILESCCCCCOC1(C(=O)CCCC)c2ccccc2-c2cccc(C)c21
InChIInChI=1S/C24H30O2/c1-4-6-10-17-26-24(22(25)16-7-5-2)21-15-9-8-13-19(21)20-14-11-12-18(3)23(20)24/h8-9,11-15H,4-7,10,16-17H2,1-3H3
InChIKeyDTQLTYIUIZZWNA-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.19
Rot. Bonds9

About 1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one

1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one (PubChem CID 174651473) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one.

Molecular Properties

Compound Name1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one
PubChem CID174651473
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one
SMILESCCCCCOC1(C(=O)CCCC)c2ccccc2-c2cccc(C)c21
InChIInChI=1S/C24H30O2/c1-4-6-10-17-26-24(22(25)16-7-5-2)21-15-9-8-13-19(21)20-14-11-12-18(3)23(20)24/h8-9,11-15H,4-7,10,16-17H2,1-3H3
InChIKeyDTQLTYIUIZZWNA-UHFFFAOYSA-N
XLogP6.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.19
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

1-(9-butoxy-1-methylfluoren-9-yl)ethanone
CID 174733642
1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one
CID 160541929
1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one
CID 67497909
dipentyl fluorene-9,9-dicarboxylate
CID 126715860
1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one
CID 67498552
2-hydroxy-2-pentoxyindene-1,3-dione
CID 71345396
butyl 9-hydroxyfluorene-9-carboxylate;silver
CID 122424754
(2,6-diphenylphenyl) hexyl carbonate
CID 121296956
cobalt;octanoic acid;1,2-xylene
CID 175075701
1,9-dimethylfluorene-9-carbaldehyde
CID 173198715
2-heptoxy-3-methylbenzoic acid
CID 54560597
[3-(2-methylphenyl)-2-pentylphenyl] hydrogen carbonate
CID 67181301

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one?
The IUPAC name of 1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one (CID 174651473) is 1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one.
What is the SMILES notation for 1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one?
The canonical SMILES for 1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one is CCCCCOC1(C(=O)CCCC)c2ccccc2-c2cccc(C)c21.
What is the InChIKey of 1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one?
The InChIKey is DTQLTYIUIZZWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-4-6-10-17-26-24(22(25)16-7-5-2)21-15-9-8-13-19(21)20-14-11-12-18(3)23(20)24/h8-9,11-15H,4-7,10,16-17H2,1-3H3.
What are the key properties of 1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one?
1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one has a molecular weight of 350.50 g/mol, XLogP of 6.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one is sourced from PubChem (CID 174651473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).