2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol

C11H20O6 — CID 6451645

IUPAC2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol
SMILESOCC(CO)(COCC1CO1)COCC1CO1
InChIInChI=1S/C11H20O6/c12-5-11(6-13,7-14-1-9-3-16-9)8-15-2-10-4-17-10/h9-10,12-13H,1-8H2
InChIKeyFGPFIXISGWXSCE-UHFFFAOYSA-N
MW248.27 g/mol
LogP-1.21
Rot. Bonds10

About 2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol

2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol (PubChem CID 6451645) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is 2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol
PubChem CID6451645
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol
SMILESOCC(CO)(COCC1CO1)COCC1CO1
InChIInChI=1S/C11H20O6/c12-5-11(6-13,7-14-1-9-3-16-9)8-15-2-10-4-17-10/h9-10,12-13H,1-8H2
InChIKeyFGPFIXISGWXSCE-UHFFFAOYSA-N
XLogP-1.21
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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(oxiran-2-ylmethoxymethyl)propane-1,3-diol?
The IUPAC name of 2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol (CID 6451645) is 2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol?
The canonical SMILES for 2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol is OCC(CO)(COCC1CO1)COCC1CO1.
What is the InChIKey of 2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol?
The InChIKey is FGPFIXISGWXSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c12-5-11(6-13,7-14-1-9-3-16-9)8-15-2-10-4-17-10/h9-10,12-13H,1-8H2.
What are the key properties of 2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol?
2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol has a molecular weight of 248.27 g/mol, XLogP of -1.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol is sourced from PubChem (CID 6451645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).