2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene

C19H36O5 — CID 155574162

IUPAC2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene
SMILESC=C.CC.CC(C)(OCC1CO1)C1CC(C(C)(C)OCC2CO2)O1
InChIInChI=1S/C15H26O5.C2H6.C2H4/c1-14(2,18-8-10-6-16-10)12-5-13(20-12)15(3,4)19-9-11-7-17-11;2*1-2/h10-13H,5-9H2,1-4H3;1-2H3;1-2H2
InChIKeyOPJWSRDJWLGWOQ-UHFFFAOYSA-N
MW344.49 g/mol
LogP3.36
Rot. Bonds8

About 2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene

2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene (PubChem CID 155574162) has the molecular formula C19H36O5 and a molecular weight of 344.49 g/mol. Its IUPAC name is 2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene.

Molecular Properties

Compound Name2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene
PubChem CID155574162
Molecular FormulaC19H36O5
Molecular Weight344.49 g/mol
Exact Mass344.26
IUPAC Name2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene
SMILESC=C.CC.CC(C)(OCC1CO1)C1CC(C(C)(C)OCC2CO2)O1
InChIInChI=1S/C15H26O5.C2H6.C2H4/c1-14(2,18-8-10-6-16-10)12-5-13(20-12)15(3,4)19-9-11-7-17-11;2*1-2/h10-13H,5-9H2,1-4H3;1-2H3;1-2H2
InChIKeyOPJWSRDJWLGWOQ-UHFFFAOYSA-N
XLogP3.36
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
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

2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 89152762
1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine
CID 56622855
2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane
CID 157093919
2-(3-methylhex-5-en-3-yloxymethyl)oxirane
CID 21263243
2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane
CID 161498038
2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane
CID 123358235
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
(3R,5S)-2-[2-[[(2S,4S,6R)-4-hydroxy-6-(2-methoxypropan-2-yl)oxan-2-yl]methoxy]propan-2-yl]oxane-3,5-diol
CID 139298094
2-(1,1-dimethoxypropoxymethyl)oxirane
CID 174508703
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
2-(1,1,2-trifluoropropoxymethyl)oxirane
CID 87368360
dimethoxymethane;bis(2-(methoxymethyl)oxirane)
CID 159900039

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene?
The IUPAC name of 2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene (CID 155574162) is 2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene.
What is the SMILES notation for 2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene?
The canonical SMILES for 2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene is C=C.CC.CC(C)(OCC1CO1)C1CC(C(C)(C)OCC2CO2)O1.
What is the InChIKey of 2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene?
The InChIKey is OPJWSRDJWLGWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5.C2H6.C2H4/c1-14(2,18-8-10-6-16-10)12-5-13(20-12)15(3,4)19-9-11-7-17-11;2*1-2/h10-13H,5-9H2,1-4H3;1-2H3;1-2H2.
What are the key properties of 2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene?
2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene has a molecular weight of 344.49 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene is sourced from PubChem (CID 155574162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).