2-ethyl-3-(1-prop-1-enoxyethyl)oxirane

C9H16O2 — CID 151369385

IUPAC2-ethyl-3-(1-prop-1-enoxyethyl)oxirane
SMILESCC=COC(C)C1OC1CC
InChIInChI=1S/C9H16O2/c1-4-6-10-7(3)9-8(5-2)11-9/h4,6-9H,5H2,1-3H3
InChIKeyOQCLKGAWAREBGV-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds4

About 2-ethyl-3-(1-prop-1-enoxyethyl)oxirane

2-ethyl-3-(1-prop-1-enoxyethyl)oxirane (PubChem CID 151369385) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-ethyl-3-(1-prop-1-enoxyethyl)oxirane.

Molecular Properties

Compound Name2-ethyl-3-(1-prop-1-enoxyethyl)oxirane
PubChem CID151369385
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-ethyl-3-(1-prop-1-enoxyethyl)oxirane
SMILESCC=COC(C)C1OC1CC
InChIInChI=1S/C9H16O2/c1-4-6-10-7(3)9-8(5-2)11-9/h4,6-9H,5H2,1-3H3
InChIKeyOQCLKGAWAREBGV-UHFFFAOYSA-N
XLogP2.10
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-propan-2-yloxirane
CID 22934413
2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane
CID 154956648
1-(3-ethyloxiran-2-yl)ethyl 2-methylbutanoate
CID 131972284
2-[(E)-prop-1-enoxy]butane
CID 22498076
2-[1-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176605409
(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane
CID 122599287
2-ethyl-6-propan-2-yloxane-3,4,5-triol
CID 71288921
1-(3-ethyloxiran-2-yl)prop-2-en-1-ol
CID 14593903
2-(2,3-dimethylpentyl)-3-ethyloxirane
CID 131972305
3-[1-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604277
2-[(Z)-prop-1-enoxy]propan-1-ol
CID 134346043
3-[1-[(E)-prop-1-enoxy]ethyl]thiepane 1-oxide
CID 176605211

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(1-prop-1-enoxyethyl)oxirane?
The IUPAC name of 2-ethyl-3-(1-prop-1-enoxyethyl)oxirane (CID 151369385) is 2-ethyl-3-(1-prop-1-enoxyethyl)oxirane.
What is the SMILES notation for 2-ethyl-3-(1-prop-1-enoxyethyl)oxirane?
The canonical SMILES for 2-ethyl-3-(1-prop-1-enoxyethyl)oxirane is CC=COC(C)C1OC1CC.
What is the InChIKey of 2-ethyl-3-(1-prop-1-enoxyethyl)oxirane?
The InChIKey is OQCLKGAWAREBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-6-10-7(3)9-8(5-2)11-9/h4,6-9H,5H2,1-3H3.
What are the key properties of 2-ethyl-3-(1-prop-1-enoxyethyl)oxirane?
2-ethyl-3-(1-prop-1-enoxyethyl)oxirane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(1-prop-1-enoxyethyl)oxirane is sourced from PubChem (CID 151369385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).