oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate

C9H14O5 — CID 6454894

IUPACoxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate
SMILESO=C(CCOCC1CO1)OCC1CO1
InChIInChI=1S/C9H14O5/c10-9(14-6-8-5-13-8)1-2-11-3-7-4-12-7/h7-8H,1-6H2
InChIKeyOOZIORGGHDGCLG-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.27
Rot. Bonds7

About oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate

oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate (PubChem CID 6454894) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate
PubChem CID6454894
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Nameoxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate
SMILESO=C(CCOCC1CO1)OCC1CO1
InChIInChI=1S/C9H14O5/c10-9(14-6-8-5-13-8)1-2-11-3-7-4-12-7/h7-8H,1-6H2
InChIKeyOOZIORGGHDGCLG-UHFFFAOYSA-N
XLogP-0.27
TPSA60.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.27
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

oxiran-2-ylmethyl 3-acetyloxypropanoate
CID 21339917
oxiran-2-ylmethyl 3-methylsilyloxypropanoate
CID 123898365
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate
CID 22381567
oxiran-2-ylmethyl 12-aminododecanoate
CID 139945465
oxiran-2-ylmethyl 11-sulfanylundecanoate
CID 139945469
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate
CID 88755301
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
oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate
CID 156636382
8-(oxiran-2-ylmethoxy)octane-2,5-dione
CID 19885320
oxiran-2-ylmethyl 2-[3,5,7-tris[2-(oxiran-2-ylmethoxy)-2-oxoethyl]-1-adamantyl]acetate
CID 87387868

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate?
The IUPAC name of oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate (CID 6454894) is oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate.
What is the SMILES notation for oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate?
The canonical SMILES for oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate is O=C(CCOCC1CO1)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate?
The InChIKey is OOZIORGGHDGCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c10-9(14-6-8-5-13-8)1-2-11-3-7-4-12-7/h7-8H,1-6H2.
What are the key properties of oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate?
oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate has a molecular weight of 202.21 g/mol, XLogP of -0.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate is sourced from PubChem (CID 6454894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).