2-(hexoxymethyl)oxirane

C9H18O2 — CID 22213

IUPAC2-(hexoxymethyl)oxirane
SMILESCCCCCCOCC1CO1
InChIInChI=1S/C9H18O2/c1-2-3-4-5-6-10-7-9-8-11-9/h9H,2-8H2,1H3
InChIKeyJPEGUDKOYOIOOP-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds7

About 2-(hexoxymethyl)oxirane

2-(hexoxymethyl)oxirane (PubChem CID 22213) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(hexoxymethyl)oxirane.

Molecular Properties

Compound Name2-(hexoxymethyl)oxirane
PubChem CID22213
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(hexoxymethyl)oxirane
SMILESCCCCCCOCC1CO1
InChIInChI=1S/C9H18O2/c1-2-3-4-5-6-10-7-9-8-11-9/h9H,2-8H2,1H3
InChIKeyJPEGUDKOYOIOOP-UHFFFAOYSA-N
XLogP1.98
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
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)oxirane?
The IUPAC name of 2-(hexoxymethyl)oxirane (CID 22213) is 2-(hexoxymethyl)oxirane.
What is the SMILES notation for 2-(hexoxymethyl)oxirane?
The canonical SMILES for 2-(hexoxymethyl)oxirane is CCCCCCOCC1CO1.
What is the InChIKey of 2-(hexoxymethyl)oxirane?
The InChIKey is JPEGUDKOYOIOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-3-4-5-6-10-7-9-8-11-9/h9H,2-8H2,1H3.
What are the key properties of 2-(hexoxymethyl)oxirane?
2-(hexoxymethyl)oxirane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexoxymethyl)oxirane is sourced from PubChem (CID 22213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).