1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one

C25H32O2 — CID 67498552

IUPAC1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one
SMILESCCCCCCCCC(=O)C1(COCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H32O2/c1-3-5-6-7-8-9-18-24(26)25(19-27-4-2)22-16-12-10-14-20(22)21-15-11-13-17-23(21)25/h10-17H,3-9,18-19H2,1-2H3
InChIKeyGALRLWJAXZUURZ-UHFFFAOYSA-N
MW364.53 g/mol
LogP6.31
Rot. Bonds11

About 1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one

1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one (PubChem CID 67498552) has the molecular formula C25H32O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one.

Molecular Properties

Compound Name1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one
PubChem CID67498552
Molecular FormulaC25H32O2
Molecular Weight364.53 g/mol
Exact Mass364.24
IUPAC Name1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one
SMILESCCCCCCCCC(=O)C1(COCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H32O2/c1-3-5-6-7-8-9-18-24(26)25(19-27-4-2)22-16-12-10-14-20(22)21-15-11-13-17-23(21)25/h10-17H,3-9,18-19H2,1-2H3
InChIKeyGALRLWJAXZUURZ-UHFFFAOYSA-N
XLogP6.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 56.31
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-(methoxymethyl)fluoren-9-yl]pentan-1-one
CID 67497909
7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one
CID 67497818
methyl 9-(ethoxymethyl)fluorene-9-carboxylate
CID 90407926
1-(9-propylfluoren-9-yl)butan-1-one
CID 18409407
phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone
CID 67499045
methyl 3-(9-octylfluoren-9-yl)propanoate
CID 58637208
2-ethyltridecyl 9-(methoxymethyl)fluorene-9-carboxylate
CID 90408527
dipentyl fluorene-9,9-dicarboxylate
CID 126715860
1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one
CID 174651473
9-(ethoxymethyl)-9-methoxyfluorene
CID 22477131
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526

Frequently Asked Questions

What is the IUPAC name of 1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one?
The IUPAC name of 1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one (CID 67498552) is 1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one.
What is the SMILES notation for 1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one?
The canonical SMILES for 1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one is CCCCCCCCC(=O)C1(COCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one?
The InChIKey is GALRLWJAXZUURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O2/c1-3-5-6-7-8-9-18-24(26)25(19-27-4-2)22-16-12-10-14-20(22)21-15-11-13-17-23(21)25/h10-17H,3-9,18-19H2,1-2H3.
What are the key properties of 1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one?
1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one has a molecular weight of 364.53 g/mol, XLogP of 6.31, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one is sourced from PubChem (CID 67498552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).