2,2-bis(1-methoxyethyl)oxirane

C8H16O3 — CID 18512430

IUPAC2,2-bis(1-methoxyethyl)oxirane
SMILESCOC(C)C1(C(C)OC)CO1
InChIInChI=1S/C8H16O3/c1-6(9-3)8(5-11-8)7(2)10-4/h6-7H,5H2,1-4H3
InChIKeyPDKRORZLPQCMKP-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.83
Rot. Bonds4

About 2,2-bis(1-methoxyethyl)oxirane

2,2-bis(1-methoxyethyl)oxirane (PubChem CID 18512430) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2,2-bis(1-methoxyethyl)oxirane.

Molecular Properties

Compound Name2,2-bis(1-methoxyethyl)oxirane
PubChem CID18512430
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2,2-bis(1-methoxyethyl)oxirane
SMILESCOC(C)C1(C(C)OC)CO1
InChIInChI=1S/C8H16O3/c1-6(9-3)8(5-11-8)7(2)10-4/h6-7H,5H2,1-4H3
InChIKeyPDKRORZLPQCMKP-UHFFFAOYSA-N
XLogP0.83
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1-methoxyethyl)oxirane?
The IUPAC name of 2,2-bis(1-methoxyethyl)oxirane (CID 18512430) is 2,2-bis(1-methoxyethyl)oxirane.
What is the SMILES notation for 2,2-bis(1-methoxyethyl)oxirane?
The canonical SMILES for 2,2-bis(1-methoxyethyl)oxirane is COC(C)C1(C(C)OC)CO1.
What is the InChIKey of 2,2-bis(1-methoxyethyl)oxirane?
The InChIKey is PDKRORZLPQCMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(9-3)8(5-11-8)7(2)10-4/h6-7H,5H2,1-4H3.
What are the key properties of 2,2-bis(1-methoxyethyl)oxirane?
2,2-bis(1-methoxyethyl)oxirane has a molecular weight of 160.21 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-methoxyethyl)oxirane is sourced from PubChem (CID 18512430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).