2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane

C26H22O4 — CID 86159181

IUPAC2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
SMILESc1ccc2c(-c3c(OCC4CO4)ccc4ccccc34)c(OCC3CO3)ccc2c1
InChIInChI=1S/C26H22O4/c1-3-7-21-17(5-1)9-11-23(29-15-19-13-27-19)25(21)26-22-8-4-2-6-18(22)10-12-24(26)30-16-20-14-28-20/h1-12,19-20H,13-16H2
InChIKeySZKLFAJGTPMXRG-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.22
Rot. Bonds7

About 2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane

2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane (PubChem CID 86159181) has the molecular formula C26H22O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
PubChem CID86159181
Molecular FormulaC26H22O4
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC Name2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
SMILESc1ccc2c(-c3c(OCC4CO4)ccc4ccccc34)c(OCC3CO3)ccc2c1
InChIInChI=1S/C26H22O4/c1-3-7-21-17(5-1)9-11-23(29-15-19-13-27-19)25(21)26-22-8-4-2-6-18(22)10-12-24(26)30-16-20-14-28-20/h1-12,19-20H,13-16H2
InChIKeySZKLFAJGTPMXRG-UHFFFAOYSA-N
XLogP5.22
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.22
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-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane (CID 86159181) is 2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane is c1ccc2c(-c3c(OCC4CO4)ccc4ccccc34)c(OCC3CO3)ccc2c1.
What is the InChIKey of 2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane?
The InChIKey is SZKLFAJGTPMXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4/c1-3-7-21-17(5-1)9-11-23(29-15-19-13-27-19)25(21)26-22-8-4-2-6-18(22)10-12-24(26)30-16-20-14-28-20/h1-12,19-20H,13-16H2.
What are the key properties of 2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane?
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane has a molecular weight of 398.46 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 86159181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).