2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane

C9H14O3 — CID 141169715

IUPAC2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane
SMILESC=CCOCC1(C2(C)CO2)CO1
InChIInChI=1S/C9H14O3/c1-3-4-10-6-9(7-12-9)8(2)5-11-8/h3H,1,4-7H2,2H3
InChIKeyDKCJULONMBMWPD-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.75
Rot. Bonds5

About 2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane

2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane (PubChem CID 141169715) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane.

Molecular Properties

Compound Name2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane
PubChem CID141169715
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane
SMILESC=CCOCC1(C2(C)CO2)CO1
InChIInChI=1S/C9H14O3/c1-3-4-10-6-9(7-12-9)8(2)5-11-8/h3H,1,4-7H2,2H3
InChIKeyDKCJULONMBMWPD-UHFFFAOYSA-N
XLogP0.75
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane?
The IUPAC name of 2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane (CID 141169715) is 2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane.
What is the SMILES notation for 2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane?
The canonical SMILES for 2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane is C=CCOCC1(C2(C)CO2)CO1.
What is the InChIKey of 2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane?
The InChIKey is DKCJULONMBMWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-4-10-6-9(7-12-9)8(2)5-11-8/h3H,1,4-7H2,2H3.
What are the key properties of 2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane?
2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane has a molecular weight of 170.21 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(prop-2-enoxymethyl)oxiran-2-yl]oxirane is sourced from PubChem (CID 141169715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).