5-(9H-fluoren-9-yl)pentanoic acid

C18H18O2 — CID 10400716

IUPAC5-(9H-fluoren-9-yl)pentanoic acid
SMILESO=C(O)CCCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H18O2/c19-18(20)12-6-5-11-17-15-9-3-1-7-13(15)14-8-2-4-10-16(14)17/h1-4,7-10,17H,5-6,11-12H2,(H,19,20)
InChIKeyUETWEUAAPBKSSL-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.44
Rot. Bonds5

About 5-(9H-fluoren-9-yl)pentanoic acid

5-(9H-fluoren-9-yl)pentanoic acid (PubChem CID 10400716) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-(9H-fluoren-9-yl)pentanoic acid.

Molecular Properties

Compound Name5-(9H-fluoren-9-yl)pentanoic acid
PubChem CID10400716
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name5-(9H-fluoren-9-yl)pentanoic acid
SMILESO=C(O)CCCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H18O2/c19-18(20)12-6-5-11-17-15-9-3-1-7-13(15)14-8-2-4-10-16(14)17/h1-4,7-10,17H,5-6,11-12H2,(H,19,20)
InChIKeyUETWEUAAPBKSSL-UHFFFAOYSA-N
XLogP4.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-9-yl)pentanoic acid?
The IUPAC name of 5-(9H-fluoren-9-yl)pentanoic acid (CID 10400716) is 5-(9H-fluoren-9-yl)pentanoic acid.
What is the SMILES notation for 5-(9H-fluoren-9-yl)pentanoic acid?
The canonical SMILES for 5-(9H-fluoren-9-yl)pentanoic acid is O=C(O)CCCCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 5-(9H-fluoren-9-yl)pentanoic acid?
The InChIKey is UETWEUAAPBKSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-18(20)12-6-5-11-17-15-9-3-1-7-13(15)14-8-2-4-10-16(14)17/h1-4,7-10,17H,5-6,11-12H2,(H,19,20).
What are the key properties of 5-(9H-fluoren-9-yl)pentanoic acid?
5-(9H-fluoren-9-yl)pentanoic acid has a molecular weight of 266.34 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-9-yl)pentanoic acid is sourced from PubChem (CID 10400716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).