2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane

C12H24O5 — CID 101393644

IUPAC2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
SMILESCOCCCOCCOCCCOCC1CO1
InChIInChI=1S/C12H24O5/c1-13-4-2-5-14-8-9-15-6-3-7-16-10-12-11-17-12/h12H,2-11H2,1H3
InChIKeyYARZXBYOQQENBV-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.86
Rot. Bonds13

About 2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane

2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane (PubChem CID 101393644) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane.

Molecular Properties

Compound Name2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
PubChem CID101393644
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
SMILESCOCCCOCCOCCCOCC1CO1
InChIInChI=1S/C12H24O5/c1-13-4-2-5-14-8-9-15-6-3-7-16-10-12-11-17-12/h12H,2-11H2,1H3
InChIKeyYARZXBYOQQENBV-UHFFFAOYSA-N
XLogP0.86
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-methoxybutoxymethyl)oxirane
CID 58151519
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[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]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
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-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
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-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
methoxy-[3-[2-(oxiran-2-ylmethoxy)ethoxy]propyl]silane
CID 151041352
2-[2-[2-(cyclopropylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 89079137

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane?
The IUPAC name of 2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane (CID 101393644) is 2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane.
What is the SMILES notation for 2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane?
The canonical SMILES for 2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane is COCCCOCCOCCCOCC1CO1.
What is the InChIKey of 2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane?
The InChIKey is YARZXBYOQQENBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-13-4-2-5-14-8-9-15-6-3-7-16-10-12-11-17-12/h12H,2-11H2,1H3.
What are the key properties of 2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane?
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane has a molecular weight of 248.32 g/mol, XLogP of 0.86, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane is sourced from PubChem (CID 101393644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).