2,2-dinaphthalen-1-yl-3-oxobutanedial

C24H16O3 — CID 140640259

IUPAC2,2-dinaphthalen-1-yl-3-oxobutanedial
SMILESO=CC(=O)C(C=O)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C24H16O3/c25-15-23(27)24(16-26,21-13-5-9-17-7-1-3-11-19(17)21)22-14-6-10-18-8-2-4-12-20(18)22/h1-16H
InChIKeyCYNBSVAGENDABR-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.25
Rot. Bonds5

About 2,2-dinaphthalen-1-yl-3-oxobutanedial

2,2-dinaphthalen-1-yl-3-oxobutanedial (PubChem CID 140640259) has the molecular formula C24H16O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2,2-dinaphthalen-1-yl-3-oxobutanedial.

Molecular Properties

Compound Name2,2-dinaphthalen-1-yl-3-oxobutanedial
PubChem CID140640259
Molecular FormulaC24H16O3
Molecular Weight352.39 g/mol
Exact Mass352.11
IUPAC Name2,2-dinaphthalen-1-yl-3-oxobutanedial
SMILESO=CC(=O)C(C=O)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C24H16O3/c25-15-23(27)24(16-26,21-13-5-9-17-7-1-3-11-19(17)21)22-14-6-10-18-8-2-4-12-20(18)22/h1-16H
InChIKeyCYNBSVAGENDABR-UHFFFAOYSA-N
XLogP4.25
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide
CID 115166889
(2S)-2-amino-2-naphthalen-1-ylpropanal
CID 87513009
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanal
CID 88510080
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one
CID 139998268
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
1-(trichloromethyl)naphthalene
CID 12791328
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
2-methyl-2-naphthalen-1-ylbutanoyl chloride
CID 117047849
1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
CID 23002853
(2R)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 67197757
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 66760761

Frequently Asked Questions

What is the IUPAC name of 2,2-dinaphthalen-1-yl-3-oxobutanedial?
The IUPAC name of 2,2-dinaphthalen-1-yl-3-oxobutanedial (CID 140640259) is 2,2-dinaphthalen-1-yl-3-oxobutanedial.
What is the SMILES notation for 2,2-dinaphthalen-1-yl-3-oxobutanedial?
The canonical SMILES for 2,2-dinaphthalen-1-yl-3-oxobutanedial is O=CC(=O)C(C=O)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 2,2-dinaphthalen-1-yl-3-oxobutanedial?
The InChIKey is CYNBSVAGENDABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O3/c25-15-23(27)24(16-26,21-13-5-9-17-7-1-3-11-19(17)21)22-14-6-10-18-8-2-4-12-20(18)22/h1-16H.
What are the key properties of 2,2-dinaphthalen-1-yl-3-oxobutanedial?
2,2-dinaphthalen-1-yl-3-oxobutanedial has a molecular weight of 352.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dinaphthalen-1-yl-3-oxobutanedial is sourced from PubChem (CID 140640259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).