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

C17H18O4 — CID 163606468

IUPAC2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane
SMILESc1cc(OCCC2CO2)c2ccc(OCC3CO3)cc2c1
InChIInChI=1S/C17H18O4/c1-2-12-8-13(19-10-15-11-21-15)4-5-16(12)17(3-1)18-7-6-14-9-20-14/h1-5,8,14-15H,6-7,9-11H2
InChIKeyHCFYIAMGTVIOJD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.79
Rot. Bonds7

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

2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane (PubChem CID 163606468) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane
PubChem CID163606468
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane
SMILESc1cc(OCCC2CO2)c2ccc(OCC3CO3)cc2c1
InChIInChI=1S/C17H18O4/c1-2-12-8-13(19-10-15-11-21-15)4-5-16(12)17(3-1)18-7-6-14-9-20-14/h1-5,8,14-15H,6-7,9-11H2
InChIKeyHCFYIAMGTVIOJD-UHFFFAOYSA-N
XLogP2.79
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.79
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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Related Compounds

(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane
CID 144830025
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane
CID 89326132
2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 87877907
2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 129094059
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
1,6-dipentoxynaphthalene
CID 22144299
2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
CID 155004813
naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
CID 167603505
N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide
CID 163899201
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane (CID 163606468) is 2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane is c1cc(OCCC2CO2)c2ccc(OCC3CO3)cc2c1.
What is the InChIKey of 2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane?
The InChIKey is HCFYIAMGTVIOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-12-8-13(19-10-15-11-21-15)4-5-16(12)17(3-1)18-7-6-14-9-20-14/h1-5,8,14-15H,6-7,9-11H2.
What are the key properties of 2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane?
2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane has a molecular weight of 286.33 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 163606468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).