methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate

C12H18O5 — CID 175573583

IUPACmethyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate
SMILESCOC(=O)C(CC1CO1)(CC1CO1)CC1CO1
InChIInChI=1S/C12H18O5/c1-14-11(13)12(2-8-5-15-8,3-9-6-16-9)4-10-7-17-10/h8-10H,2-7H2,1H3
InChIKeyONDTXLCIVNTQEM-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.51
Rot. Bonds7

About methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate

methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate (PubChem CID 175573583) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate
PubChem CID175573583
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Namemethyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate
SMILESCOC(=O)C(CC1CO1)(CC1CO1)CC1CO1
InChIInChI=1S/C12H18O5/c1-14-11(13)12(2-8-5-15-8,3-9-6-16-9)4-10-7-17-10/h8-10H,2-7H2,1H3
InChIKeyONDTXLCIVNTQEM-UHFFFAOYSA-N
XLogP0.51
TPSA63.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate?
The IUPAC name of methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate (CID 175573583) is methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate.
What is the SMILES notation for methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate?
The canonical SMILES for methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate is COC(=O)C(CC1CO1)(CC1CO1)CC1CO1.
What is the InChIKey of methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate?
The InChIKey is ONDTXLCIVNTQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-14-11(13)12(2-8-5-15-8,3-9-6-16-9)4-10-7-17-10/h8-10H,2-7H2,1H3.
What are the key properties of methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate?
methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate has a molecular weight of 242.27 g/mol, XLogP of 0.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate is sourced from PubChem (CID 175573583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).