2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane

C11H20O2 — CID 150544683

IUPAC2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane
SMILESCCC1(CCCOC=C(C)C)CO1
InChIInChI=1S/C11H20O2/c1-4-11(9-13-11)6-5-7-12-8-10(2)3/h8H,4-7,9H2,1-3H3
InChIKeyIGPSUBOERZUHID-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds6

About 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane

2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane (PubChem CID 150544683) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane.

Molecular Properties

Compound Name2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane
PubChem CID150544683
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane
SMILESCCC1(CCCOC=C(C)C)CO1
InChIInChI=1S/C11H20O2/c1-4-11(9-13-11)6-5-7-12-8-10(2)3/h8H,4-7,9H2,1-3H3
InChIKeyIGPSUBOERZUHID-UHFFFAOYSA-N
XLogP2.89
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-Prop-1-enoxyethyl)-2-propyloxirane
CID 54292674
2-[1-(2-Methylprop-1-enoxy)pentan-3-yl]oxirane
CID 151716142
2-Ethyl-2-(3-prop-1-enoxypropyl)oxirane
CID 152411902
2-(3-Ethenoxypropyl)-2-ethyloxirane
CID 176603120
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxirane
CID 176603351
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxirane
CID 176605163
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane
CID 176605297

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane?
The IUPAC name of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane (CID 150544683) is 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane.
What is the SMILES notation for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane?
The canonical SMILES for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane is CCC1(CCCOC=C(C)C)CO1.
What is the InChIKey of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane?
The InChIKey is IGPSUBOERZUHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-11(9-13-11)6-5-7-12-8-10(2)3/h8H,4-7,9H2,1-3H3.
What are the key properties of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane?
2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane is sourced from PubChem (CID 150544683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).