ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene

C16H26O5 — CID 126511442

IUPACethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene
SMILESC(OCC1CO1)C1CO1.Cc1ccc(C)cc1.OCCO
InChIInChI=1S/C8H10.C6H10O3.C2H6O2/c1-7-3-5-8(2)6-4-7;1(5-3-8-5)7-2-6-4-9-6;3-1-2-4/h3-6H,1-2H3;5-6H,1-4H2;3-4H,1-2H2
InChIKeyQLNXUHQKFLIGPW-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.08
Rot. Bonds5

About ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene

ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene (PubChem CID 126511442) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene.

Molecular Properties

Compound Nameethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene
PubChem CID126511442
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Nameethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene
SMILESC(OCC1CO1)C1CO1.Cc1ccc(C)cc1.OCCO
InChIInChI=1S/C8H10.C6H10O3.C2H6O2/c1-7-3-5-8(2)6-4-7;1(5-3-8-5)7-2-6-4-9-6;3-1-2-4/h3-6H,1-2H3;5-6H,1-4H2;3-4H,1-2H2
InChIKeyQLNXUHQKFLIGPW-UHFFFAOYSA-N
XLogP1.08
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 173030236
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CID 158653156
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ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
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2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
4-(4-hydroxy-2,3-dimethylphenyl)-2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 146291909
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CID 174448667

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene?
The IUPAC name of ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene (CID 126511442) is ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene.
What is the SMILES notation for ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene?
The canonical SMILES for ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene is C(OCC1CO1)C1CO1.Cc1ccc(C)cc1.OCCO.
What is the InChIKey of ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene?
The InChIKey is QLNXUHQKFLIGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H10O3.C2H6O2/c1-7-3-5-8(2)6-4-7;1(5-3-8-5)7-2-6-4-9-6;3-1-2-4/h3-6H,1-2H3;5-6H,1-4H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene?
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene has a molecular weight of 298.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene is sourced from PubChem (CID 126511442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).