2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane

C25H28O4 — CID 90233959

IUPAC2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane
SMILESC=CCc1cc2c(CC=C)c(OCC3CO3)ccc2c(CC=C)c1OCC1CO1
InChIInChI=1S/C25H28O4/c1-4-7-17-12-23-20(22(9-6-3)25(17)29-16-19-14-27-19)10-11-24(21(23)8-5-2)28-15-18-13-26-18/h4-6,10-12,18-19H,1-3,7-9,13-16H2
InChIKeyIPBRHUWFDLGNDW-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.58
Rot. Bonds12

About 2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane

2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane (PubChem CID 90233959) has the molecular formula C25H28O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane
PubChem CID90233959
Molecular FormulaC25H28O4
Molecular Weight392.50 g/mol
Exact Mass392.20
IUPAC Name2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane
SMILESC=CCc1cc2c(CC=C)c(OCC3CO3)ccc2c(CC=C)c1OCC1CO1
InChIInChI=1S/C25H28O4/c1-4-7-17-12-23-20(22(9-6-3)25(17)29-16-19-14-27-19)10-11-24(21(23)8-5-2)28-15-18-13-26-18/h4-6,10-12,18-19H,1-3,7-9,13-16H2
InChIKeyIPBRHUWFDLGNDW-UHFFFAOYSA-N
XLogP4.58
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane with MolForge

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Related Compounds

2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 130209641
bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 158570112
2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane
CID 90250128
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 130209636
2-[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxetane
CID 130314268
N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide
CID 54033017
dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 162006186
2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane
CID 88608040
1-[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 102120197
2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane
CID 90252758
2-prop-2-enoxy-1,5-bis(prop-2-enyl)naphthalene
CID 174804005
2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane
CID 135292978

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane (CID 90233959) is 2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane is C=CCc1cc2c(CC=C)c(OCC3CO3)ccc2c(CC=C)c1OCC1CO1.
What is the InChIKey of 2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane?
The InChIKey is IPBRHUWFDLGNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4/c1-4-7-17-12-23-20(22(9-6-3)25(17)29-16-19-14-27-19)10-11-24(21(23)8-5-2)28-15-18-13-26-18/h4-6,10-12,18-19H,1-3,7-9,13-16H2.
What are the key properties of 2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane?
2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane has a molecular weight of 392.50 g/mol, XLogP of 4.58, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 90233959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).