oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane

C14H22O4 — CID 22281013

IUPACoxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
SMILESC1CO1.C=CCC(OC(CC=C)C1CO1)C1CO1
InChIInChI=1S/C12H18O3.C2H4O/c1-3-5-9(11-7-13-11)15-10(6-4-2)12-8-14-12;1-2-3-1/h3-4,9-12H,1-2,5-8H2;1-2H2
InChIKeyXWYDTUOWYXZOQH-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.71
Rot. Bonds8

About oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane

oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane (PubChem CID 22281013) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane.

Molecular Properties

Compound Nameoxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
PubChem CID22281013
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Nameoxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
SMILESC1CO1.C=CCC(OC(CC=C)C1CO1)C1CO1
InChIInChI=1S/C12H18O3.C2H4O/c1-3-5-9(11-7-13-11)15-10(6-4-2)12-8-14-12;1-2-3-1/h3-4,9-12H,1-2,5-8H2;1-2H2
InChIKeyXWYDTUOWYXZOQH-UHFFFAOYSA-N
XLogP1.71
TPSA46.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
CID 11195175
1,4-Butenediol diglycidyl ether
CID 56614973
3-Chloro-prop-2-enylglycidyl ether
CID 129726089
Glycidyl 3-epoxyglycidyl-1-propenyl ether
CID 129892291
Di(3-epoxyglycidyl-1-propenyl) ether
CID 129892317
2-(Hept-6-enoxymethyl)oxirane
CID 22934435
2-(Hex-5-enoxymethyl)oxirane
CID 22934445
2-Methyl-2-[1-[1-(2-methyloxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
CID 23506359
2-Prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane
CID 56980724
(2S)-2-[1-[1-[(2S)-oxiran-2-yl]but-3-enoxy]but-3-enyl]oxirane
CID 57107091
2-[6-(Oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane
CID 57121799
2-[2-[1-(Oxiran-2-yl)but-3-enoxy]ethoxy]ethanol
CID 57147091

Frequently Asked Questions

What is the IUPAC name of oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane?
The IUPAC name of oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane (CID 22281013) is oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane.
What is the SMILES notation for oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane?
The canonical SMILES for oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane is C1CO1.C=CCC(OC(CC=C)C1CO1)C1CO1.
What is the InChIKey of oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane?
The InChIKey is XWYDTUOWYXZOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3.C2H4O/c1-3-5-9(11-7-13-11)15-10(6-4-2)12-8-14-12;1-2-3-1/h3-4,9-12H,1-2,5-8H2;1-2H2.
What are the key properties of oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane?
oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane has a molecular weight of 254.33 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane is sourced from PubChem (CID 22281013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).