2-(1,3,5-trioxan-2-yl)ethanol

C5H10O4 — CID 174284097

IUPAC2-(1,3,5-trioxan-2-yl)ethanol
SMILESOCCC1OCOCO1
InChIInChI=1S/C5H10O4/c6-2-1-5-8-3-7-4-9-5/h5-6H,1-4H2
InChIKeyCCLRSSXQELBEHK-UHFFFAOYSA-N
MW134.13 g/mol
LogP-0.33
Rot. Bonds2

About 2-(1,3,5-trioxan-2-yl)ethanol

2-(1,3,5-trioxan-2-yl)ethanol (PubChem CID 174284097) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 2-(1,3,5-trioxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,3,5-trioxan-2-yl)ethanol
PubChem CID174284097
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name2-(1,3,5-trioxan-2-yl)ethanol
SMILESOCCC1OCOCO1
InChIInChI=1S/C5H10O4/c6-2-1-5-8-3-7-4-9-5/h5-6H,1-4H2
InChIKeyCCLRSSXQELBEHK-UHFFFAOYSA-N
XLogP-0.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-1,3,5-trioxane
CID 68769940
butane-1,4-diol;1,3,5-trioxane
CID 67848634
1-(1,3,5-trioxan-2-yl)butane-1,4-diol
CID 57031981
2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol
CID 115062761
methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)
CID 159329704
2-(1,4,7,10-tetraoxacyclododec-2-yl)ethanol
CID 21459614
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
7-(1,3-dioxan-2-yl)-5-[2-(1,3-dioxan-2-yl)ethyl]heptane-1,5-diol
CID 67190127
2-(2-hydroxyethyl)oxetan-3-ol
CID 118010510
2-[2-(1,3-dioxan-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol
CID 66472309
3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 117168285
2-(1,3-dioxolan-2-yl)ethylphosphane
CID 67730766

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trioxan-2-yl)ethanol?
The IUPAC name of 2-(1,3,5-trioxan-2-yl)ethanol (CID 174284097) is 2-(1,3,5-trioxan-2-yl)ethanol.
What is the SMILES notation for 2-(1,3,5-trioxan-2-yl)ethanol?
The canonical SMILES for 2-(1,3,5-trioxan-2-yl)ethanol is OCCC1OCOCO1.
What is the InChIKey of 2-(1,3,5-trioxan-2-yl)ethanol?
The InChIKey is CCLRSSXQELBEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c6-2-1-5-8-3-7-4-9-5/h5-6H,1-4H2.
What are the key properties of 2-(1,3,5-trioxan-2-yl)ethanol?
2-(1,3,5-trioxan-2-yl)ethanol has a molecular weight of 134.13 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trioxan-2-yl)ethanol is sourced from PubChem (CID 174284097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).