6,8-diphenyltridecan-7-one

C25H34O — CID 11089436

IUPAC6,8-diphenyltridecan-7-one
SMILESCCCCCC(C(=O)C(CCCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O/c1-3-5-9-19-23(21-15-11-7-12-16-21)25(26)24(20-10-6-4-2)22-17-13-8-14-18-22/h7-8,11-18,23-24H,3-6,9-10,19-20H2,1-2H3
InChIKeyVFHMTKOAEDPTPC-UHFFFAOYSA-N
MW350.55 g/mol
LogP7.28
Rot. Bonds12

About 6,8-diphenyltridecan-7-one

6,8-diphenyltridecan-7-one (PubChem CID 11089436) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is 6,8-diphenyltridecan-7-one.

Molecular Properties

Compound Name6,8-diphenyltridecan-7-one
PubChem CID11089436
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Name6,8-diphenyltridecan-7-one
SMILESCCCCCC(C(=O)C(CCCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O/c1-3-5-9-19-23(21-15-11-7-12-16-21)25(26)24(20-10-6-4-2)22-17-13-8-14-18-22/h7-8,11-18,23-24H,3-6,9-10,19-20H2,1-2H3
InChIKeyVFHMTKOAEDPTPC-UHFFFAOYSA-N
XLogP7.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 57.28
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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Frequently Asked Questions

What is the IUPAC name of 6,8-diphenyltridecan-7-one?
The IUPAC name of 6,8-diphenyltridecan-7-one (CID 11089436) is 6,8-diphenyltridecan-7-one.
What is the SMILES notation for 6,8-diphenyltridecan-7-one?
The canonical SMILES for 6,8-diphenyltridecan-7-one is CCCCCC(C(=O)C(CCCCC)c1ccccc1)c1ccccc1.
What is the InChIKey of 6,8-diphenyltridecan-7-one?
The InChIKey is VFHMTKOAEDPTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O/c1-3-5-9-19-23(21-15-11-7-12-16-21)25(26)24(20-10-6-4-2)22-17-13-8-14-18-22/h7-8,11-18,23-24H,3-6,9-10,19-20H2,1-2H3.
What are the key properties of 6,8-diphenyltridecan-7-one?
6,8-diphenyltridecan-7-one has a molecular weight of 350.55 g/mol, XLogP of 7.28, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diphenyltridecan-7-one is sourced from PubChem (CID 11089436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).