2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene

C16H24O4 — CID 126511463

IUPAC2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene
SMILESC(COCC1CO1)OCC1CO1.Cc1cccc(C)c1
InChIInChI=1S/C8H14O4.C8H10/c1(9-3-7-5-11-7)2-10-4-8-6-12-8;1-7-4-3-5-8(2)6-7/h7-8H,1-6H2;3-6H,1-2H3
InChIKeyWSMGQUMHXNCWIC-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.12
Rot. Bonds7

About 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene

2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene (PubChem CID 126511463) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene.

Molecular Properties

Compound Name2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene
PubChem CID126511463
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene
SMILESC(COCC1CO1)OCC1CO1.Cc1cccc(C)c1
InChIInChI=1S/C8H14O4.C8H10/c1(9-3-7-5-11-7)2-10-4-8-6-12-8;1-7-4-3-5-8(2)6-7/h7-8H,1-6H2;3-6H,1-2H3
InChIKeyWSMGQUMHXNCWIC-UHFFFAOYSA-N
XLogP2.12
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylphenoxy)ethoxymethyl]oxirane
CID 13013247
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
1-methoxy-2-(2-methoxyethoxy)ethane;1,3-xylene
CID 69199580
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
2-(prop-2-enoxymethyl)oxirane;toluene
CID 174817749
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene
CID 126511442
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-[[4-methyl-2-(3-methylphenyl)phenoxy]methyl]oxirane
CID 168860448
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 87444072
benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174448667
2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 139993716

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene?
The IUPAC name of 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene (CID 126511463) is 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene.
What is the SMILES notation for 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene?
The canonical SMILES for 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene is C(COCC1CO1)OCC1CO1.Cc1cccc(C)c1.
What is the InChIKey of 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene?
The InChIKey is WSMGQUMHXNCWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.C8H10/c1(9-3-7-5-11-7)2-10-4-8-6-12-8;1-7-4-3-5-8(2)6-7/h7-8H,1-6H2;3-6H,1-2H3.
What are the key properties of 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene?
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene has a molecular weight of 280.36 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene is sourced from PubChem (CID 126511463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).