2-(4-methoxybutoxymethyl)oxirane

C8H16O3 — CID 58151519

IUPAC2-(4-methoxybutoxymethyl)oxirane
SMILESCOCCCCOCC1CO1
InChIInChI=1S/C8H16O3/c1-9-4-2-3-5-10-6-8-7-11-8/h8H,2-7H2,1H3
InChIKeyTYPJYVBVJPJUDU-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.83
Rot. Bonds7

About 2-(4-methoxybutoxymethyl)oxirane

2-(4-methoxybutoxymethyl)oxirane (PubChem CID 58151519) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(4-methoxybutoxymethyl)oxirane.

Molecular Properties

Compound Name2-(4-methoxybutoxymethyl)oxirane
PubChem CID58151519
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(4-methoxybutoxymethyl)oxirane
SMILESCOCCCCOCC1CO1
InChIInChI=1S/C8H16O3/c1-9-4-2-3-5-10-6-8-7-11-8/h8H,2-7H2,1H3
InChIKeyTYPJYVBVJPJUDU-UHFFFAOYSA-N
XLogP0.83
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.83
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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Related Compounds

(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-(pentoxymethyl)oxirane
CID 160890113
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutoxymethyl)oxirane?
The IUPAC name of 2-(4-methoxybutoxymethyl)oxirane (CID 58151519) is 2-(4-methoxybutoxymethyl)oxirane.
What is the SMILES notation for 2-(4-methoxybutoxymethyl)oxirane?
The canonical SMILES for 2-(4-methoxybutoxymethyl)oxirane is COCCCCOCC1CO1.
What is the InChIKey of 2-(4-methoxybutoxymethyl)oxirane?
The InChIKey is TYPJYVBVJPJUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-9-4-2-3-5-10-6-8-7-11-8/h8H,2-7H2,1H3.
What are the key properties of 2-(4-methoxybutoxymethyl)oxirane?
2-(4-methoxybutoxymethyl)oxirane has a molecular weight of 160.21 g/mol, XLogP of 0.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutoxymethyl)oxirane is sourced from PubChem (CID 58151519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).