2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione

C19H16O4 — CID 155101101

IUPAC2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=CC=Cc2ccc3ccccc3c2)C(=O)O1
InChIInChI=1S/C19H16O4/c1-19(2)22-17(20)16(18(21)23-19)9-5-6-13-10-11-14-7-3-4-8-15(14)12-13/h3-12H,1-2H3
InChIKeyKTTMLSTWCLBQOP-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.62
Rot. Bonds2

About 2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione

2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione (PubChem CID 155101101) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione
PubChem CID155101101
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=CC=Cc2ccc3ccccc3c2)C(=O)O1
InChIInChI=1S/C19H16O4/c1-19(2)22-17(20)16(18(21)23-19)9-5-6-13-10-11-14-7-3-4-8-15(14)12-13/h3-12H,1-2H3
InChIKeyKTTMLSTWCLBQOP-UHFFFAOYSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-[(1E,3E)-penta-1,3-dienyl]naphthalene
CID 135079977
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
2-(6-phenylhexa-1,3,5-trienyl)naphthalene
CID 2818391
5-[3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)prop-1-enyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate
CID 59043311
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
2-naphthalen-2-ylethenol
CID 67195423
2,2-dimethyl-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-1,3-dioxane-4,6-dione
CID 74229599
naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene
CID 72565674
N-[[(E)-2-naphthalen-2-ylethenyl]amino]formamide
CID 20696183
2-[(E)-4-methylpent-1-enyl]naphthalene
CID 15318830
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
5-[[4-(difluoromethoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599881

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione (CID 155101101) is 2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(=CC=Cc2ccc3ccccc3c2)C(=O)O1.
What is the InChIKey of 2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione?
The InChIKey is KTTMLSTWCLBQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-19(2)22-17(20)16(18(21)23-19)9-5-6-13-10-11-14-7-3-4-8-15(14)12-13/h3-12H,1-2H3.
What are the key properties of 2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione has a molecular weight of 308.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3-naphthalen-2-ylprop-2-enylidene)-1,3-dioxane-4,6-dione is sourced from PubChem (CID 155101101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).