2-(2-butoxyethyl)-3-ethyloxirane

C10H20O2 — CID 174615687

IUPAC2-(2-butoxyethyl)-3-ethyloxirane
SMILESCCCCOCCC1OC1CC
InChIInChI=1S/C10H20O2/c1-3-5-7-11-8-6-10-9(4-2)12-10/h9-10H,3-8H2,1-2H3
InChIKeyLSHMSXKIDXUXRT-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds7

About 2-(2-butoxyethyl)-3-ethyloxirane

2-(2-butoxyethyl)-3-ethyloxirane (PubChem CID 174615687) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-3-ethyloxirane.

Molecular Properties

Compound Name2-(2-butoxyethyl)-3-ethyloxirane
PubChem CID174615687
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(2-butoxyethyl)-3-ethyloxirane
SMILESCCCCOCCC1OC1CC
InChIInChI=1S/C10H20O2/c1-3-5-7-11-8-6-10-9(4-2)12-10/h9-10H,3-8H2,1-2H3
InChIKeyLSHMSXKIDXUXRT-UHFFFAOYSA-N
XLogP2.37
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hexyl glycidyl ether
CID 22213
2-((Heptyloxy)methyl)oxirane
CID 5074764
(R)-(+)-Glycidyl heptyl ether
CID 22831356
2-(2-Ethoxypropyl)oxirane
CID 91175401
Hexyl glycidyl ether, (R)-
CID 36691064
2-[2-(Hexadecyloxy)ethyl]oxirane
CID 13959072
2-(3-Ethoxybutyl)oxirane
CID 129845895
Hexyl glycidyl ether, (S)-
CID 15619896
Oxirane, 2-ethyl-3-(2-methoxyethyl)-
CID 10313148
2-(Heptan-2-yloxymethyl)oxirane
CID 85598515
2-(2-Ethoxyethyl)-3-methyloxirane
CID 88274445
2-(3-Methoxybutyl)-3-methyloxirane
CID 88560295

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-3-ethyloxirane?
The IUPAC name of 2-(2-butoxyethyl)-3-ethyloxirane (CID 174615687) is 2-(2-butoxyethyl)-3-ethyloxirane.
What is the SMILES notation for 2-(2-butoxyethyl)-3-ethyloxirane?
The canonical SMILES for 2-(2-butoxyethyl)-3-ethyloxirane is CCCCOCCC1OC1CC.
What is the InChIKey of 2-(2-butoxyethyl)-3-ethyloxirane?
The InChIKey is LSHMSXKIDXUXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-7-11-8-6-10-9(4-2)12-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(2-butoxyethyl)-3-ethyloxirane?
2-(2-butoxyethyl)-3-ethyloxirane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-3-ethyloxirane is sourced from PubChem (CID 174615687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).