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

C12H18O3 — CID 11195175

IUPAC2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
SMILESC=CCC(C1CO1)OC(CC=C)C2CO2
InChIInChI=1S/C12H18O3/c1-3-5-9(11-7-13-11)15-10(6-4-2)12-8-14-12/h3-4,9-12H,1-2,5-8H2
InChIKeyBQNOXYVFKYQQLW-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.80
Rot. Bonds8

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

2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane (PubChem CID 11195175) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane.

Molecular Properties

Compound Name2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
PubChem CID11195175
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
SMILESC=CCC(C1CO1)OC(CC=C)C2CO2
InChIInChI=1S/C12H18O3/c1-3-5-9(11-7-13-11)15-10(6-4-2)12-8-14-12/h3-4,9-12H,1-2,5-8H2
InChIKeyBQNOXYVFKYQQLW-UHFFFAOYSA-N
XLogP1.80
TPSA34.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity215

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-Ethenyl-3-(oxiran-2-yl)oxirane
CID 91357720
3-Chloro-prop-2-enylglycidyl ether
CID 129726089
1-(Oxiran-2-yl)but-3-enyl hypofluorite
CID 177923649
Oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
CID 22281013
2-(Hept-6-enoxymethyl)oxirane
CID 22934435
2-(Hex-5-enoxymethyl)oxirane
CID 22934445
2-(Pent-4-enoxymethyl)oxirane
CID 23466507
2-Methyl-2-[1-[1-(2-methyloxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
CID 23506359
2-[1-[1-(Oxiran-2-yl)prop-2-enoxy]prop-2-enyl]oxirane
CID 53649937
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane?
The IUPAC name of 2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane (CID 11195175) is 2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane.
What is the SMILES notation for 2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane?
The canonical SMILES for 2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane is C=CCC(C1CO1)OC(CC=C)C2CO2.
What is the InChIKey of 2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane?
The InChIKey is BQNOXYVFKYQQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-5-9(11-7-13-11)15-10(6-4-2)12-8-14-12/h3-4,9-12H,1-2,5-8H2.
What are the key properties of 2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane?
2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane has a molecular weight of 210.27 g/mol, XLogP of 1.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane is sourced from PubChem (CID 11195175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).