2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one

C23H28O — CID 102084613

IUPAC2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one
SMILESC=CC(CCCC(=O)C(C)(C)C)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H28O/c1-5-18(14-11-17-22(24)23(2,3)4)20-15-9-10-16-21(20)19-12-7-6-8-13-19/h5-10,12-13,15-16,18H,1,11,14,17H2,2-4H3
InChIKeySNSVLPWSARLYPG-UHFFFAOYSA-N
MW320.48 g/mol
LogP6.41
Rot. Bonds7

About 2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one

2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one (PubChem CID 102084613) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one.

Molecular Properties

Compound Name2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one
PubChem CID102084613
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one
SMILESC=CC(CCCC(=O)C(C)(C)C)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H28O/c1-5-18(14-11-17-22(24)23(2,3)4)20-15-9-10-16-21(20)19-12-7-6-8-13-19/h5-10,12-13,15-16,18H,1,11,14,17H2,2-4H3
InChIKeySNSVLPWSARLYPG-UHFFFAOYSA-N
XLogP6.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one?
The IUPAC name of 2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one (CID 102084613) is 2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one.
What is the SMILES notation for 2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one?
The canonical SMILES for 2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one is C=CC(CCCC(=O)C(C)(C)C)c1ccccc1-c1ccccc1.
What is the InChIKey of 2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one?
The InChIKey is SNSVLPWSARLYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O/c1-5-18(14-11-17-22(24)23(2,3)4)20-15-9-10-16-21(20)19-12-7-6-8-13-19/h5-10,12-13,15-16,18H,1,11,14,17H2,2-4H3.
What are the key properties of 2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one?
2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one has a molecular weight of 320.48 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one is sourced from PubChem (CID 102084613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).