ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane

C37H48O8 — CID 159836491

IUPACethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane
SMILESCC.CC1OC1COc1ccc(Cc2ccc(OCC3OC3C)cc2)cc1.CC1OC1COc1cccc(OCC2OC2C)c1
InChIInChI=1S/C21H24O4.C14H18O4.C2H6/c1-14-20(24-14)12-22-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23-13-21-15(2)25-21;1-9-13(17-9)7-15-11-4-3-5-12(6-11)16-8-14-10(2)18-14;1-2/h3-10,14-15,20-21H,11-13H2,1-2H3;3-6,9-10,13-14H,7-8H2,1-2H3;1-2H3
InChIKeyNODHVLZFPYZSMP-UHFFFAOYSA-N
MW620.78 g/mol
LogP6.65
Rot. Bonds14

About ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane

ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane (PubChem CID 159836491) has the molecular formula C37H48O8 and a molecular weight of 620.78 g/mol. Its IUPAC name is ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Nameethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane
PubChem CID159836491
Molecular FormulaC37H48O8
Molecular Weight620.78 g/mol
Exact Mass620.33
IUPAC Nameethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane
SMILESCC.CC1OC1COc1ccc(Cc2ccc(OCC3OC3C)cc2)cc1.CC1OC1COc1cccc(OCC2OC2C)c1
InChIInChI=1S/C21H24O4.C14H18O4.C2H6/c1-14-20(24-14)12-22-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23-13-21-15(2)25-21;1-9-13(17-9)7-15-11-4-3-5-12(6-11)16-8-14-10(2)18-14;1-2/h3-10,14-15,20-21H,11-13H2,1-2H3;3-6,9-10,13-14H,7-8H2,1-2H3;1-2H3
InChIKeyNODHVLZFPYZSMP-UHFFFAOYSA-N
XLogP6.65
TPSA87.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.78
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-3-[(3-methylphenoxy)methyl]oxirane
CID 12882728
4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde
CID 102230361
2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 158459779
2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane
CID 90374577
2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134221521
(2S,3S)-2-[[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]methyl]-3-methyloxirane
CID 88751480
ethane;bis(1-ethyl-4-(4-ethylphenyl)benzene);2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane
CID 161019379
1-(4-chlorophenyl)-4-[4-[(3-methyloxiran-2-yl)methoxy]phenyl]piperazine
CID 174594171
2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane
CID 83932245
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
1-bromo-3-[(4-ethoxyphenyl)methyl]benzene
CID 46205787
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane?
The IUPAC name of ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane (CID 159836491) is ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane.
What is the SMILES notation for ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane?
The canonical SMILES for ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane is CC.CC1OC1COc1ccc(Cc2ccc(OCC3OC3C)cc2)cc1.CC1OC1COc1cccc(OCC2OC2C)c1.
What is the InChIKey of ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane?
The InChIKey is NODHVLZFPYZSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4.C14H18O4.C2H6/c1-14-20(24-14)12-22-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23-13-21-15(2)25-21;1-9-13(17-9)7-15-11-4-3-5-12(6-11)16-8-14-10(2)18-14;1-2/h3-10,14-15,20-21H,11-13H2,1-2H3;3-6,9-10,13-14H,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane?
ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane has a molecular weight of 620.78 g/mol, XLogP of 6.65, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 159836491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).