2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol

C11H20O5 — CID 15152124

IUPAC2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol
SMILESCC(CO)(COCC1CO1)COCC1CO1
InChIInChI=1S/C11H20O5/c1-11(6-12,7-13-2-9-4-15-9)8-14-3-10-5-16-10/h9-10,12H,2-8H2,1H3
InChIKeyHWSYKXNQPUDPIU-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.18
Rot. Bonds9

About 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol

2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol (PubChem CID 15152124) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol
PubChem CID15152124
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol
SMILESCC(CO)(COCC1CO1)COCC1CO1
InChIInChI=1S/C11H20O5/c1-11(6-12,7-13-2-9-4-15-9)8-14-3-10-5-16-10/h9-10,12H,2-8H2,1H3
InChIKeyHWSYKXNQPUDPIU-UHFFFAOYSA-N
XLogP-0.18
TPSA63.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
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 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol?
The IUPAC name of 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol (CID 15152124) is 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol is CC(CO)(COCC1CO1)COCC1CO1.
What is the InChIKey of 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol?
The InChIKey is HWSYKXNQPUDPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-11(6-12,7-13-2-9-4-15-9)8-14-3-10-5-16-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol?
2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol has a molecular weight of 232.28 g/mol, XLogP of -0.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol is sourced from PubChem (CID 15152124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).