2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane

C11H20O3 — CID 87813388

IUPAC2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC=C(C)C
InChIInChI=1S/C6H10O3.C5H10/c1(5-3-8-5)7-2-6-4-9-6;1-4-5(2)3/h5-6H,1-4H2;4H,1-3H3
InChIKeyFIBHKJAXLYRNGD-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.77
Rot. Bonds4

About 2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane

2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 87813388) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID87813388
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC=C(C)C
InChIInChI=1S/C6H10O3.C5H10/c1(5-3-8-5)7-2-6-4-9-6;1-4-5(2)3/h5-6H,1-4H2;4H,1-3H3
InChIKeyFIBHKJAXLYRNGD-UHFFFAOYSA-N
XLogP1.77
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of 2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 87813388) is 2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CC=C(C)C.
What is the InChIKey of 2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is FIBHKJAXLYRNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C5H10/c1(5-3-8-5)7-2-6-4-9-6;1-4-5(2)3/h5-6H,1-4H2;4H,1-3H3.
What are the key properties of 2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane?
2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 200.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 87813388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).