2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane

C20H30O2 — CID 101312647

IUPAC2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane
SMILESCCCCCCC/C=C/Cc1ccccc1OCC1(C)CO1
InChIInChI=1S/C20H30O2/c1-3-4-5-6-7-8-9-10-13-18-14-11-12-15-19(18)21-16-20(2)17-22-20/h9-12,14-15H,3-8,13,16-17H2,1-2H3/b10-9+
InChIKeyMCALSHWBPZTINB-MDZDMXLPSA-N
MW302.46 g/mol
LogP5.31
Rot. Bonds11

About 2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane

2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane (PubChem CID 101312647) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane
PubChem CID101312647
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane
SMILESCCCCCCC/C=C/Cc1ccccc1OCC1(C)CO1
InChIInChI=1S/C20H30O2/c1-3-4-5-6-7-8-9-10-13-18-14-11-12-15-19(18)21-16-20(2)17-22-20/h9-12,14-15H,3-8,13,16-17H2,1-2H3/b10-9+
InChIKeyMCALSHWBPZTINB-MDZDMXLPSA-N
XLogP5.31
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(E)-heptadec-3-enyl]phenoxy]methyl]-2-methyloxirane
CID 101313171
2-methyl-2-[[2-[(E)-octadec-11-enyl]phenoxy]methyl]oxirane
CID 101313278
2-[[2-[(E)-heptadec-12-enyl]phenoxy]methyl]-2-methyloxirane
CID 101313180
2-[[2-[(E)-hexadec-11-enyl]phenoxy]methyl]-2-methyloxirane
CID 101313086
2-methyl-2-[(2-undecylphenoxy)methyl]oxirane
CID 101312376
2-[[2-[(E)-dodec-2-enyl]phenoxy]methyl]oxirane
CID 101312734
2-methyl-2-[(2-tridec-12-enylphenoxy)methyl]oxirane
CID 101312846
2-methyl-2-[[4-[(E)-tridec-5-enyl]phenoxy]methyl]oxirane
CID 101312863
2-methyl-2-[[4-[(E)-tridec-4-enyl]phenoxy]methyl]oxirane
CID 101312862
2-[[4-[(E)-hexadec-4-enyl]phenoxy]methyl]-2-methyloxirane
CID 101313109
2-methyl-2-[[3-[(E)-tridec-6-enyl]phenoxy]methyl]oxirane
CID 101312852
2-[[3-[(E)-heptadec-7-enyl]phenoxy]methyl]-2-methyloxirane
CID 101313191

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane?
The IUPAC name of 2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane (CID 101312647) is 2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane.
What is the SMILES notation for 2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane?
The canonical SMILES for 2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane is CCCCCCC/C=C/Cc1ccccc1OCC1(C)CO1.
What is the InChIKey of 2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane?
The InChIKey is MCALSHWBPZTINB-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H30O2/c1-3-4-5-6-7-8-9-10-13-18-14-11-12-15-19(18)21-16-20(2)17-22-20/h9-12,14-15H,3-8,13,16-17H2,1-2H3/b10-9+.
What are the key properties of 2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane?
2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane has a molecular weight of 302.46 g/mol, XLogP of 5.31, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(E)-dec-2-enyl]phenoxy]methyl]-2-methyloxirane is sourced from PubChem (CID 101312647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).