1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol

C13H24O6 — CID 171403098

IUPAC1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol
SMILESCC1(C)OCC(OCC(O)COCCC2CO2)CO1
InChIInChI=1S/C13H24O6/c1-13(2)18-8-12(9-19-13)16-6-10(14)5-15-4-3-11-7-17-11/h10-12,14H,3-9H2,1-2H3
InChIKeyXSTTYXCGGKLZHI-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.32
Rot. Bonds8

About 1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol

1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol (PubChem CID 171403098) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol
PubChem CID171403098
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol
SMILESCC1(C)OCC(OCC(O)COCCC2CO2)CO1
InChIInChI=1S/C13H24O6/c1-13(2)18-8-12(9-19-13)16-6-10(14)5-15-4-3-11-7-17-11/h10-12,14H,3-9H2,1-2H3
InChIKeyXSTTYXCGGKLZHI-UHFFFAOYSA-N
XLogP0.32
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol with MolForge

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Related Compounds

3-methyl-1-[2-(oxiran-2-yl)ethoxy]butan-2-ol
CID 157311653
1-[3-(oxiran-2-yl)propoxy]butan-2-ol
CID 140851911
1-bromooctadecane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;(2S)-3-octadecoxypropane-1,2-diol
CID 163485997
(2R)-1-(oxetan-3-yloxy)butan-2-ol
CID 124603359
(2S)-1-(oxetan-3-yloxy)butan-2-ol
CID 124603358
1-methoxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propan-2-ol;2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
CID 162098827
1-[4-[bis(oxiran-2-ylmethyl)amino]cyclohexyl]oxy-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 162462693
2-[2-(oxiran-2-yl)ethoxy]ethanol
CID 20723947
1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol
CID 175354226
(2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol
CID 10809321
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol
CID 10903259
2-[2-[4-[2-(oxiran-2-yl)ethoxy]butoxy]ethyl]oxirane
CID 177262160

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol?
The IUPAC name of 1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol (CID 171403098) is 1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol.
What is the SMILES notation for 1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol?
The canonical SMILES for 1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol is CC1(C)OCC(OCC(O)COCCC2CO2)CO1.
What is the InChIKey of 1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol?
The InChIKey is XSTTYXCGGKLZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-13(2)18-8-12(9-19-13)16-6-10(14)5-15-4-3-11-7-17-11/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol?
1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol has a molecular weight of 276.33 g/mol, XLogP of 0.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-3-[2-(oxiran-2-yl)ethoxy]propan-2-ol is sourced from PubChem (CID 171403098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).