2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane

C16H16O4 — CID 4987597

IUPAC2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
SMILESc1cc(OCC2CO2)c2ccc(OCC3CO3)cc2c1
InChIInChI=1S/C16H16O4/c1-2-11-6-12(17-7-13-8-18-13)4-5-15(11)16(3-1)20-10-14-9-19-14/h1-6,13-14H,7-10H2
InChIKeyMEVBAGCIOOTPLF-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.39
Rot. Bonds6

About 2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane

2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane (PubChem CID 4987597) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
PubChem CID4987597
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
SMILESc1cc(OCC2CO2)c2ccc(OCC3CO3)cc2c1
InChIInChI=1S/C16H16O4/c1-2-11-6-12(17-7-13-8-18-13)4-5-15(11)16(3-1)20-10-14-9-19-14/h1-6,13-14H,7-10H2
InChIKeyMEVBAGCIOOTPLF-UHFFFAOYSA-N
XLogP2.39
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane 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 2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane (CID 4987597) is 2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane is c1cc(OCC2CO2)c2ccc(OCC3CO3)cc2c1.
What is the InChIKey of 2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane?
The InChIKey is MEVBAGCIOOTPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-2-11-6-12(17-7-13-8-18-13)4-5-15(11)16(3-1)20-10-14-9-19-14/h1-6,13-14H,7-10H2.
What are the key properties of 2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane?
2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane has a molecular weight of 272.30 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 4987597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).