5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one

C25H18O3 — CID 135007166

IUPAC5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one
SMILESC=C1C(=O)OC(c2ccc3ccccc3c2)OC1c1ccc2ccccc2c1
InChIInChI=1S/C25H18O3/c1-16-23(21-12-10-17-6-2-4-8-19(17)14-21)27-25(28-24(16)26)22-13-11-18-7-3-5-9-20(18)15-22/h2-15,23,25H,1H2
InChIKeyFYZALROPIDIZRY-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.86
Rot. Bonds2

About 5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one

5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one (PubChem CID 135007166) has the molecular formula C25H18O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one.

Molecular Properties

Compound Name5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one
PubChem CID135007166
Molecular FormulaC25H18O3
Molecular Weight366.42 g/mol
Exact Mass366.13
IUPAC Name5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one
SMILESC=C1C(=O)OC(c2ccc3ccccc3c2)OC1c1ccc2ccccc2c1
InChIInChI=1S/C25H18O3/c1-16-23(21-12-10-17-6-2-4-8-19(17)14-21)27-25(28-24(16)26)22-13-11-18-7-3-5-9-20(18)15-22/h2-15,23,25H,1H2
InChIKeyFYZALROPIDIZRY-UHFFFAOYSA-N
XLogP5.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one?
The IUPAC name of 5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one (CID 135007166) is 5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one.
What is the SMILES notation for 5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one?
The canonical SMILES for 5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one is C=C1C(=O)OC(c2ccc3ccccc3c2)OC1c1ccc2ccccc2c1.
What is the InChIKey of 5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one?
The InChIKey is FYZALROPIDIZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O3/c1-16-23(21-12-10-17-6-2-4-8-19(17)14-21)27-25(28-24(16)26)22-13-11-18-7-3-5-9-20(18)15-22/h2-15,23,25H,1H2.
What are the key properties of 5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one?
5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one has a molecular weight of 366.42 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2,6-dinaphthalen-2-yl-1,3-dioxan-4-one is sourced from PubChem (CID 135007166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).