2-(hexoxymethyl)-2-methyloxirane

C10H20O2 — CID 23468428

IUPAC2-(hexoxymethyl)-2-methyloxirane
SMILESCCCCCCOCC1(C)CO1
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-11-8-10(2)9-12-10/h3-9H2,1-2H3
InChIKeyXGRHTUWJNRUGLT-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds7

About 2-(hexoxymethyl)-2-methyloxirane

2-(hexoxymethyl)-2-methyloxirane (PubChem CID 23468428) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(hexoxymethyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(hexoxymethyl)-2-methyloxirane
PubChem CID23468428
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(hexoxymethyl)-2-methyloxirane
SMILESCCCCCCOCC1(C)CO1
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-11-8-10(2)9-12-10/h3-9H2,1-2H3
InChIKeyXGRHTUWJNRUGLT-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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Frequently Asked Questions

What is the IUPAC name of 2-(hexoxymethyl)-2-methyloxirane?
The IUPAC name of 2-(hexoxymethyl)-2-methyloxirane (CID 23468428) is 2-(hexoxymethyl)-2-methyloxirane.
What is the SMILES notation for 2-(hexoxymethyl)-2-methyloxirane?
The canonical SMILES for 2-(hexoxymethyl)-2-methyloxirane is CCCCCCOCC1(C)CO1.
What is the InChIKey of 2-(hexoxymethyl)-2-methyloxirane?
The InChIKey is XGRHTUWJNRUGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-5-6-7-11-8-10(2)9-12-10/h3-9H2,1-2H3.
What are the key properties of 2-(hexoxymethyl)-2-methyloxirane?
2-(hexoxymethyl)-2-methyloxirane 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-(hexoxymethyl)-2-methyloxirane is sourced from PubChem (CID 23468428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).