2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane

C10H18O4 — CID 177274035

IUPAC2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane
SMILESCOCC(OC1CCCCO1)C1CO1
InChIInChI=1S/C10H18O4/c1-11-6-9(8-7-13-8)14-10-4-2-3-5-12-10/h8-10H,2-7H2,1H3
InChIKeyDCIZRMJUTCVFHY-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.94
Rot. Bonds5

About 2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane

2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane (PubChem CID 177274035) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane
PubChem CID177274035
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane
SMILESCOCC(OC1CCCCO1)C1CO1
InChIInChI=1S/C10H18O4/c1-11-6-9(8-7-13-8)14-10-4-2-3-5-12-10/h8-10H,2-7H2,1H3
InChIKeyDCIZRMJUTCVFHY-UHFFFAOYSA-N
XLogP0.94
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yloxyoxane
CID 559028
2-methoxyoxepane
CID 24974084
(2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane
CID 123779064
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
3-(oxan-2-yloxy)-4-propoxybutan-1-amine
CID 23468125
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
CID 101016623
(2S)-2-(oxan-2-yloxy)pentan-3-ol
CID 89265028
2-(oxan-2-yloxy)propylhydrazine
CID 175028715
2-[3-(2-methoxyethoxy)propoxy]oxane
CID 158704924
(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol
CID 54016843

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane?
The IUPAC name of 2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane (CID 177274035) is 2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane.
What is the SMILES notation for 2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane?
The canonical SMILES for 2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane is COCC(OC1CCCCO1)C1CO1.
What is the InChIKey of 2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane?
The InChIKey is DCIZRMJUTCVFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-11-6-9(8-7-13-8)14-10-4-2-3-5-12-10/h8-10H,2-7H2,1H3.
What are the key properties of 2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane?
2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane has a molecular weight of 202.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane is sourced from PubChem (CID 177274035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).