ethane;2-[(4-ethylphenoxy)methyl]oxirane

C15H26O2 — CID 156746927

IUPACethane;2-[(4-ethylphenoxy)methyl]oxirane
SMILESCC.CC.CCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C11H14O2.2C2H6/c1-2-9-3-5-10(6-4-9)12-7-11-8-13-11;2*1-2/h3-6,11H,2,7-8H2,1H3;2*1-2H3
InChIKeyJVGVWZOPVVNHLS-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.08
Rot. Bonds4

About ethane;2-[(4-ethylphenoxy)methyl]oxirane

ethane;2-[(4-ethylphenoxy)methyl]oxirane (PubChem CID 156746927) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethane;2-[(4-ethylphenoxy)methyl]oxirane.

Molecular Properties

Compound Nameethane;2-[(4-ethylphenoxy)methyl]oxirane
PubChem CID156746927
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethane;2-[(4-ethylphenoxy)methyl]oxirane
SMILESCC.CC.CCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C11H14O2.2C2H6/c1-2-9-3-5-10(6-4-9)12-7-11-8-13-11;2*1-2/h3-6,11H,2,7-8H2,1H3;2*1-2H3
InChIKeyJVGVWZOPVVNHLS-UHFFFAOYSA-N
XLogP4.08
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,4-diethylbenzene);tris(2-(phenoxymethyl)oxirane)
CID 158955106
anisole;bis(1,4-diethylbenzene);ethane;2-(phenoxymethyl)oxirane
CID 157404287
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
1-ethyl-4-(4-ethylphenyl)benzene;methane;bis(2-(phenoxymethyl)oxirane)
CID 161223554
ethane;bis(1-ethyl-4-(4-ethylphenyl)benzene);2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane
CID 161019379
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
CID 59015330
CID 59015330
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
2-[(4-decylphenoxy)methyl]oxirane
CID 57169854
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(4-ethylphenoxy)methyl]oxirane?
The IUPAC name of ethane;2-[(4-ethylphenoxy)methyl]oxirane (CID 156746927) is ethane;2-[(4-ethylphenoxy)methyl]oxirane.
What is the SMILES notation for ethane;2-[(4-ethylphenoxy)methyl]oxirane?
The canonical SMILES for ethane;2-[(4-ethylphenoxy)methyl]oxirane is CC.CC.CCc1ccc(OCC2CO2)cc1.
What is the InChIKey of ethane;2-[(4-ethylphenoxy)methyl]oxirane?
The InChIKey is JVGVWZOPVVNHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.2C2H6/c1-2-9-3-5-10(6-4-9)12-7-11-8-13-11;2*1-2/h3-6,11H,2,7-8H2,1H3;2*1-2H3.
What are the key properties of ethane;2-[(4-ethylphenoxy)methyl]oxirane?
ethane;2-[(4-ethylphenoxy)methyl]oxirane has a molecular weight of 238.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(4-ethylphenoxy)methyl]oxirane is sourced from PubChem (CID 156746927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).