2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol

C8H16O4 — CID 126509303

IUPAC2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol
SMILESOCCC1(CCO)COCOC1
InChIInChI=1S/C8H16O4/c9-3-1-8(2-4-10)5-11-7-12-6-8/h9-10H,1-7H2
InChIKeyMRXVURJQJSZOEL-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.26
Rot. Bonds4

About 2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol

2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol (PubChem CID 126509303) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol
PubChem CID126509303
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol
SMILESOCCC1(CCO)COCOC1
InChIInChI=1S/C8H16O4/c9-3-1-8(2-4-10)5-11-7-12-6-8/h9-10H,1-7H2
InChIKeyMRXVURJQJSZOEL-UHFFFAOYSA-N
XLogP-0.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-dibutyl-1,3-dioxane
CID 139570230
6-(3-butyloxetan-3-yl)hexan-1-ol
CID 68636171
5-(3-propyloxetan-3-yl)pentan-1-ol
CID 68635541
2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol
CID 86174948
[5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate
CID 110174574
2-[1-(2-hydroxyethyl)cyclononadecyl]ethanol
CID 150954870
2-[1-(2-hydroxyethyl)cyclodecyl]ethanol
CID 18618783
butane-1,4-diol;1,3,5-trioxane
CID 67848634
2-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxetan-3-yl]ethanol
CID 177119133
2-[3-[(3,3-dimethylbutan-2-ylamino)methyl]oxolan-3-yl]ethanol
CID 115728891
2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol
CID 115728890
4,4-bis(2-hydroxyethyl)cyclohexan-1-ol
CID 141270843

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol?
The IUPAC name of 2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol (CID 126509303) is 2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol?
The canonical SMILES for 2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol is OCCC1(CCO)COCOC1.
What is the InChIKey of 2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol?
The InChIKey is MRXVURJQJSZOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c9-3-1-8(2-4-10)5-11-7-12-6-8/h9-10H,1-7H2.
What are the key properties of 2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol?
2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol has a molecular weight of 176.21 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol is sourced from PubChem (CID 126509303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).