3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol

C11H22O4 — CID 118319216

IUPAC3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol
SMILESCC(C)(COCCCO)COCC1CO1
InChIInChI=1S/C11H22O4/c1-11(2,8-13-5-3-4-12)9-14-6-10-7-15-10/h10,12H,3-9H2,1-2H3
InChIKeyDSIRUVFPIBMYRE-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.83
Rot. Bonds9

About 3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol

3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol (PubChem CID 118319216) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol
PubChem CID118319216
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol
SMILESCC(C)(COCCCO)COCC1CO1
InChIInChI=1S/C11H22O4/c1-11(2,8-13-5-3-4-12)9-14-6-10-7-15-10/h10,12H,3-9H2,1-2H3
InChIKeyDSIRUVFPIBMYRE-UHFFFAOYSA-N
XLogP0.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol
CID 118426500
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
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
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
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]ethanol
CID 154070356
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
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]methyl]oxirane
CID 88898601
hexane;hexane-1,6-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174849924
2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium
CID 87744459

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol?
The IUPAC name of 3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol (CID 118319216) is 3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol.
What is the SMILES notation for 3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol?
The canonical SMILES for 3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol is CC(C)(COCCCO)COCC1CO1.
What is the InChIKey of 3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol?
The InChIKey is DSIRUVFPIBMYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-11(2,8-13-5-3-4-12)9-14-6-10-7-15-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol?
3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol has a molecular weight of 218.29 g/mol, XLogP of 0.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol is sourced from PubChem (CID 118319216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).