2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane

C18H16O4 — CID 118013833

IUPAC2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane
SMILESc1cc(C2CO2)c2cc(C3CO3)c(C3CO3)cc2c1C1CO1
InChIInChI=1S/C18H16O4/c1-2-10(16-6-20-16)12-4-14(18-8-22-18)13(17-7-21-17)3-11(12)9(1)15-5-19-15/h1-4,15-18H,5-8H2
InChIKeySUKXZAFUZMQUDH-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.12
Rot. Bonds4

About 2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane

2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane (PubChem CID 118013833) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane.

Molecular Properties

Compound Name2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane
PubChem CID118013833
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane
SMILESc1cc(C2CO2)c2cc(C3CO3)c(C3CO3)cc2c1C1CO1
InChIInChI=1S/C18H16O4/c1-2-10(16-6-20-16)12-4-14(18-8-22-18)13(17-7-21-17)3-11(12)9(1)15-5-19-15/h1-4,15-18H,5-8H2
InChIKeySUKXZAFUZMQUDH-UHFFFAOYSA-N
XLogP3.12
TPSA50.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane?
The IUPAC name of 2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane (CID 118013833) is 2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane.
What is the SMILES notation for 2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane?
The canonical SMILES for 2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane is c1cc(C2CO2)c2cc(C3CO3)c(C3CO3)cc2c1C1CO1.
What is the InChIKey of 2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane?
The InChIKey is SUKXZAFUZMQUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-2-10(16-6-20-16)12-4-14(18-8-22-18)13(17-7-21-17)3-11(12)9(1)15-5-19-15/h1-4,15-18H,5-8H2.
What are the key properties of 2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane?
2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane has a molecular weight of 296.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5,8-tris(oxiran-2-yl)naphthalen-2-yl]oxirane is sourced from PubChem (CID 118013833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).