2-(3-ethenoxypropyl)-2-ethyloxirane

C9H16O2 — CID 176603120

IUPAC2-(3-ethenoxypropyl)-2-ethyloxirane
SMILESC=COCCCC1(CC)CO1
InChIInChI=1S/C9H16O2/c1-3-9(8-11-9)6-5-7-10-4-2/h4H,2-3,5-8H2,1H3
InChIKeyDOWYPXDFQQVMJR-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds6

About 2-(3-ethenoxypropyl)-2-ethyloxirane

2-(3-ethenoxypropyl)-2-ethyloxirane (PubChem CID 176603120) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)-2-ethyloxirane.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)-2-ethyloxirane
PubChem CID176603120
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(3-ethenoxypropyl)-2-ethyloxirane
SMILESC=COCCCC1(CC)CO1
InChIInChI=1S/C9H16O2/c1-3-9(8-11-9)6-5-7-10-4-2/h4H,2-3,5-8H2,1H3
InChIKeyDOWYPXDFQQVMJR-UHFFFAOYSA-N
XLogP2.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
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

1-Ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane
CID 87287194
2-Butyl-2-(3-ethenoxypropyl)oxirane
CID 89956644
2-(3-Ethenoxypropyl)-2-methyloxirane
CID 150294869
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane
CID 150544683
2-(1-Ethenoxypentan-3-yl)oxirane
CID 151132472
2-Ethyl-2-(3-prop-1-enoxypropyl)oxirane
CID 152411902
4-Ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane
CID 175329752
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane
CID 176605297

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)-2-ethyloxirane?
The IUPAC name of 2-(3-ethenoxypropyl)-2-ethyloxirane (CID 176603120) is 2-(3-ethenoxypropyl)-2-ethyloxirane.
What is the SMILES notation for 2-(3-ethenoxypropyl)-2-ethyloxirane?
The canonical SMILES for 2-(3-ethenoxypropyl)-2-ethyloxirane is C=COCCCC1(CC)CO1.
What is the InChIKey of 2-(3-ethenoxypropyl)-2-ethyloxirane?
The InChIKey is DOWYPXDFQQVMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-9(8-11-9)6-5-7-10-4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of 2-(3-ethenoxypropyl)-2-ethyloxirane?
2-(3-ethenoxypropyl)-2-ethyloxirane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)-2-ethyloxirane is sourced from PubChem (CID 176603120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).