2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane

C15H30O2 — CID 88863830

IUPAC2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane
SMILESCCC(CC)CCOC(CC)(CC)CC1CO1
InChIInChI=1S/C15H30O2/c1-5-13(6-2)9-10-17-15(7-3,8-4)11-14-12-16-14/h13-14H,5-12H2,1-4H3
InChIKeySWELWWSXEZAHOA-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.18
Rot. Bonds10

About 2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane

2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane (PubChem CID 88863830) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane.

Molecular Properties

Compound Name2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane
PubChem CID88863830
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane
SMILESCCC(CC)CCOC(CC)(CC)CC1CO1
InChIInChI=1S/C15H30O2/c1-5-13(6-2)9-10-17-15(7-3,8-4)11-14-12-16-14/h13-14H,5-12H2,1-4H3
InChIKeySWELWWSXEZAHOA-UHFFFAOYSA-N
XLogP4.18
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane?
The IUPAC name of 2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane (CID 88863830) is 2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane.
What is the SMILES notation for 2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane?
The canonical SMILES for 2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane is CCC(CC)CCOC(CC)(CC)CC1CO1.
What is the InChIKey of 2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane?
The InChIKey is SWELWWSXEZAHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-13(6-2)9-10-17-15(7-3,8-4)11-14-12-16-14/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane?
2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane has a molecular weight of 242.40 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-2-(3-ethylpentoxy)butyl]oxirane is sourced from PubChem (CID 88863830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).