2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane

C12H22O3 — CID 154956648

IUPAC2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane
SMILESCCC(OC(C)C1OC1CC)C1OC1C
InChIInChI=1S/C12H22O3/c1-5-9(11-8(4)14-11)13-7(3)12-10(6-2)15-12/h7-12H,5-6H2,1-4H3
InChIKeyNPWLWLYAFJMIOS-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.13
Rot. Bonds6

About 2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane

2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane (PubChem CID 154956648) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane.

Molecular Properties

Compound Name2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane
PubChem CID154956648
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane
SMILESCCC(OC(C)C1OC1CC)C1OC1C
InChIInChI=1S/C12H22O3/c1-5-9(11-8(4)14-11)13-7(3)12-10(6-2)15-12/h7-12H,5-6H2,1-4H3
InChIKeyNPWLWLYAFJMIOS-UHFFFAOYSA-N
XLogP2.13
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane?
The IUPAC name of 2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane (CID 154956648) is 2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane.
What is the SMILES notation for 2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane?
The canonical SMILES for 2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane is CCC(OC(C)C1OC1CC)C1OC1C.
What is the InChIKey of 2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane?
The InChIKey is NPWLWLYAFJMIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-9(11-8(4)14-11)13-7(3)12-10(6-2)15-12/h7-12H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane?
2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane has a molecular weight of 214.30 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane is sourced from PubChem (CID 154956648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).