2-(propoxymethyl)oxirane

C6H12O2 — CID 18406

IUPAC2-(propoxymethyl)oxirane
SMILESCCCOCC1CO1
InChIInChI=1S/C6H12O2/c1-2-3-7-4-6-5-8-6/h6H,2-5H2,1H3
InChIKeyCWNOEVURTVLUNV-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.81
Rot. Bonds4

About 2-(propoxymethyl)oxirane

2-(propoxymethyl)oxirane (PubChem CID 18406) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(propoxymethyl)oxirane.

Molecular Properties

Compound Name2-(propoxymethyl)oxirane
PubChem CID18406
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-(propoxymethyl)oxirane
SMILESCCCOCC1CO1
InChIInChI=1S/C6H12O2/c1-2-3-7-4-6-5-8-6/h6H,2-5H2,1H3
InChIKeyCWNOEVURTVLUNV-UHFFFAOYSA-N
XLogP0.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.81
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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Related Compounds

CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-(propylperoxymethyl)oxirane
CID 54276351

Frequently Asked Questions

What is the IUPAC name of 2-(propoxymethyl)oxirane?
The IUPAC name of 2-(propoxymethyl)oxirane (CID 18406) is 2-(propoxymethyl)oxirane.
What is the SMILES notation for 2-(propoxymethyl)oxirane?
The canonical SMILES for 2-(propoxymethyl)oxirane is CCCOCC1CO1.
What is the InChIKey of 2-(propoxymethyl)oxirane?
The InChIKey is CWNOEVURTVLUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-2-3-7-4-6-5-8-6/h6H,2-5H2,1H3.
What are the key properties of 2-(propoxymethyl)oxirane?
2-(propoxymethyl)oxirane has a molecular weight of 116.16 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethyl)oxirane is sourced from PubChem (CID 18406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).