2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane

C14H18O4 — CID 20706940

IUPAC2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane
SMILESCC1(COc2cccc(OCC3(C)CO3)c2)CO1
InChIInChI=1S/C14H18O4/c1-13(9-17-13)7-15-11-4-3-5-12(6-11)16-8-14(2)10-18-14/h3-6H,7-10H2,1-2H3
InChIKeyWCTAUMRPESEGPN-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.02
Rot. Bonds6

About 2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane

2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane (PubChem CID 20706940) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane
PubChem CID20706940
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane
SMILESCC1(COc2cccc(OCC3(C)CO3)c2)CO1
InChIInChI=1S/C14H18O4/c1-13(9-17-13)7-15-11-4-3-5-12(6-11)16-8-14(2)10-18-14/h3-6H,7-10H2,1-2H3
InChIKeyWCTAUMRPESEGPN-UHFFFAOYSA-N
XLogP2.02
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.02
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

2-[[3-[(E)-but-2-enyl]phenoxy]methyl]-2-methyloxirane
CID 101312434
2-[(3-but-3-enylphenoxy)methyl]-2-methyloxirane
CID 101312435
2-[[3-[(E)-hept-3-enyl]phenoxy]methyl]-2-methyloxirane
CID 101312519
2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane
CID 66334604
2-methyl-2-[(3-octadec-17-enylphenoxy)methyl]oxirane
CID 101313301
2-[[3-[(E)-hept-5-enyl]phenoxy]methyl]-2-methyloxirane
CID 101312521
2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane
CID 83232877
2-[[3-[(E)-hexadec-14-enyl]phenoxy]methyl]-2-methyloxirane
CID 101313104
2-[(4-butoxyphenoxy)methyl]-2-methyloxirane
CID 88976986
2-[[3-[(E)-dodec-8-enyl]phenoxy]methyl]-2-methyloxirane
CID 101312784
2-methyl-2-[[3-[(E)-tetradec-9-enyl]phenoxy]methyl]oxirane
CID 101312931
2-methyl-2-[[3-[(E)-tridec-6-enyl]phenoxy]methyl]oxirane
CID 101312852

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane?
The IUPAC name of 2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane (CID 20706940) is 2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane?
The canonical SMILES for 2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane is CC1(COc2cccc(OCC3(C)CO3)c2)CO1.
What is the InChIKey of 2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane?
The InChIKey is WCTAUMRPESEGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-13(9-17-13)7-15-11-4-3-5-12(6-11)16-8-14(2)10-18-14/h3-6H,7-10H2,1-2H3.
What are the key properties of 2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane?
2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane has a molecular weight of 250.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane is sourced from PubChem (CID 20706940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).