2-(2-hexoxyethoxymethyl)oxirane

C11H22O3 — CID 4230369

IUPAC2-(2-hexoxyethoxymethyl)oxirane
SMILESCCCCCCOCCOCC1CO1
InChIInChI=1S/C11H22O3/c1-2-3-4-5-6-12-7-8-13-9-11-10-14-11/h11H,2-10H2,1H3
InChIKeyXVZZGAJWCIEHOF-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.00
Rot. Bonds10

About 2-(2-hexoxyethoxymethyl)oxirane

2-(2-hexoxyethoxymethyl)oxirane (PubChem CID 4230369) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-(2-hexoxyethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2-hexoxyethoxymethyl)oxirane
PubChem CID4230369
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-(2-hexoxyethoxymethyl)oxirane
SMILESCCCCCCOCCOCC1CO1
InChIInChI=1S/C11H22O3/c1-2-3-4-5-6-12-7-8-13-9-11-10-14-11/h11H,2-10H2,1H3
InChIKeyXVZZGAJWCIEHOF-UHFFFAOYSA-N
XLogP2.00
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-hexoxyethoxymethyl)oxirane?
The IUPAC name of 2-(2-hexoxyethoxymethyl)oxirane (CID 4230369) is 2-(2-hexoxyethoxymethyl)oxirane.
What is the SMILES notation for 2-(2-hexoxyethoxymethyl)oxirane?
The canonical SMILES for 2-(2-hexoxyethoxymethyl)oxirane is CCCCCCOCCOCC1CO1.
What is the InChIKey of 2-(2-hexoxyethoxymethyl)oxirane?
The InChIKey is XVZZGAJWCIEHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-2-3-4-5-6-12-7-8-13-9-11-10-14-11/h11H,2-10H2,1H3.
What are the key properties of 2-(2-hexoxyethoxymethyl)oxirane?
2-(2-hexoxyethoxymethyl)oxirane has a molecular weight of 202.29 g/mol, XLogP of 2.00, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexoxyethoxymethyl)oxirane is sourced from PubChem (CID 4230369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).