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

C25H18O3 — CID 135005879

IUPAC5-methylidene-2,6-dinaphthalen-1-yl-1,3-dioxan-4-one
SMILESC=C1C(=O)OC(c2cccc3ccccc23)OC1c1cccc2ccccc12
InChIInChI=1S/C25H18O3/c1-16-23(21-14-6-10-17-8-2-4-12-19(17)21)27-25(28-24(16)26)22-15-7-11-18-9-3-5-13-20(18)22/h2-15,23,25H,1H2
InChIKeyPCVHOLKHWXUFDS-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.86
Rot. Bonds2

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

5-methylidene-2,6-dinaphthalen-1-yl-1,3-dioxan-4-one (PubChem CID 135005879) has the molecular formula C25H18O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-methylidene-2,6-dinaphthalen-1-yl-1,3-dioxan-4-one.

Molecular Properties

Compound Name5-methylidene-2,6-dinaphthalen-1-yl-1,3-dioxan-4-one
PubChem CID135005879
Molecular FormulaC25H18O3
Molecular Weight366.42 g/mol
Exact Mass366.13
IUPAC Name5-methylidene-2,6-dinaphthalen-1-yl-1,3-dioxan-4-one
SMILESC=C1C(=O)OC(c2cccc3ccccc23)OC1c1cccc2ccccc12
InChIInChI=1S/C25H18O3/c1-16-23(21-14-6-10-17-8-2-4-12-19(17)21)27-25(28-24(16)26)22-15-7-11-18-9-3-5-13-20(18)22/h2-15,23,25H,1H2
InChIKeyPCVHOLKHWXUFDS-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2,6-dinaphthalen-1-yl-1,3-dioxan-4-one?
The IUPAC name of 5-methylidene-2,6-dinaphthalen-1-yl-1,3-dioxan-4-one (CID 135005879) is 5-methylidene-2,6-dinaphthalen-1-yl-1,3-dioxan-4-one.
What is the SMILES notation for 5-methylidene-2,6-dinaphthalen-1-yl-1,3-dioxan-4-one?
The canonical SMILES for 5-methylidene-2,6-dinaphthalen-1-yl-1,3-dioxan-4-one is C=C1C(=O)OC(c2cccc3ccccc23)OC1c1cccc2ccccc12.
What is the InChIKey of 5-methylidene-2,6-dinaphthalen-1-yl-1,3-dioxan-4-one?
The InChIKey is PCVHOLKHWXUFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O3/c1-16-23(21-14-6-10-17-8-2-4-12-19(17)21)27-25(28-24(16)26)22-15-7-11-18-9-3-5-13-20(18)22/h2-15,23,25H,1H2.
What are the key properties of 5-methylidene-2,6-dinaphthalen-1-yl-1,3-dioxan-4-one?
5-methylidene-2,6-dinaphthalen-1-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-1-yl-1,3-dioxan-4-one is sourced from PubChem (CID 135005879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).