8-octadecylfluoren-1-one

C31H44O — CID 175439242

IUPAC8-octadecylfluoren-1-one
SMILESCCCCCCCCCCCCCCCCCCc1cccc2c1C=C1C(=O)C=CC=C12
InChIInChI=1S/C31H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-21-18-22-27-28-23-19-24-31(32)30(28)25-29(26)27/h18-19,21-25H,2-17,20H2,1H3
InChIKeyZWYQQXHAZPWNGM-UHFFFAOYSA-N
MW432.69 g/mol
LogP9.41
Rot. Bonds17

About 8-octadecylfluoren-1-one

8-octadecylfluoren-1-one (PubChem CID 175439242) has the molecular formula C31H44O and a molecular weight of 432.69 g/mol. Its IUPAC name is 8-octadecylfluoren-1-one.

Molecular Properties

Compound Name8-octadecylfluoren-1-one
PubChem CID175439242
Molecular FormulaC31H44O
Molecular Weight432.69 g/mol
Exact Mass432.34
IUPAC Name8-octadecylfluoren-1-one
SMILESCCCCCCCCCCCCCCCCCCc1cccc2c1C=C1C(=O)C=CC=C12
InChIInChI=1S/C31H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-21-18-22-27-28-23-19-24-31(32)30(28)25-29(26)27/h18-19,21-25H,2-17,20H2,1H3
InChIKeyZWYQQXHAZPWNGM-UHFFFAOYSA-N
XLogP9.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.69
LogP ≤ 59.41
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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Frequently Asked Questions

What is the IUPAC name of 8-octadecylfluoren-1-one?
The IUPAC name of 8-octadecylfluoren-1-one (CID 175439242) is 8-octadecylfluoren-1-one.
What is the SMILES notation for 8-octadecylfluoren-1-one?
The canonical SMILES for 8-octadecylfluoren-1-one is CCCCCCCCCCCCCCCCCCc1cccc2c1C=C1C(=O)C=CC=C12.
What is the InChIKey of 8-octadecylfluoren-1-one?
The InChIKey is ZWYQQXHAZPWNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-21-18-22-27-28-23-19-24-31(32)30(28)25-29(26)27/h18-19,21-25H,2-17,20H2,1H3.
What are the key properties of 8-octadecylfluoren-1-one?
8-octadecylfluoren-1-one has a molecular weight of 432.69 g/mol, XLogP of 9.41, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-octadecylfluoren-1-one is sourced from PubChem (CID 175439242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).