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

C18H36O5 — CID 173313374

IUPACethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=C.C=C.C=C.C=C.C=C.OCCO
InChIInChI=1S/C6H10O3.C2H6O2.5C2H4/c1(5-3-8-5)7-2-6-4-9-6;3-1-2-4;5*1-2/h5-6H,1-4H2;3-4H,1-2H2;5*1-2H2
InChIKeySEHHBSHRALRYAP-UHFFFAOYSA-N
MW332.48 g/mol
LogP2.78
Rot. Bonds5

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

ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 173313374) has the molecular formula C18H36O5 and a molecular weight of 332.48 g/mol. Its IUPAC name is ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Nameethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID173313374
Molecular FormulaC18H36O5
Molecular Weight332.48 g/mol
Exact Mass332.26
IUPAC Nameethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=C.C=C.C=C.C=C.C=C.OCCO
InChIInChI=1S/C6H10O3.C2H6O2.5C2H4/c1(5-3-8-5)7-2-6-4-9-6;3-1-2-4;5*1-2/h5-6H,1-4H2;3-4H,1-2H2;5*1-2H2
InChIKeySEHHBSHRALRYAP-UHFFFAOYSA-N
XLogP2.78
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
CID 173030236
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(2-hydroxyethylperoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174579624
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87212352
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene
CID 126511442
(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87871261
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 173313374) is ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.C=C.C=C.C=C.C=C.C=C.OCCO.
What is the InChIKey of ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is SEHHBSHRALRYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C2H6O2.5C2H4/c1(5-3-8-5)7-2-6-4-9-6;3-1-2-4;5*1-2/h5-6H,1-4H2;3-4H,1-2H2;5*1-2H2.
What are the key properties of ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane?
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 332.48 g/mol, XLogP of 2.78, 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;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 173313374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).