2-(2-hydroxyethyl)-1,3-dioxan-4-ol

C6H12O4 — CID 11392858

IUPAC2-(2-hydroxyethyl)-1,3-dioxan-4-ol
SMILESOCCC1OCCC(O)O1
InChIInChI=1S/C6H12O4/c7-3-1-6-9-4-2-5(8)10-6/h5-8H,1-4H2
InChIKeyCMFSVRNUSJXFLF-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.55
Rot. Bonds2

About 2-(2-hydroxyethyl)-1,3-dioxan-4-ol

2-(2-hydroxyethyl)-1,3-dioxan-4-ol (PubChem CID 11392858) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1,3-dioxan-4-ol.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-1,3-dioxan-4-ol
PubChem CID11392858
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name2-(2-hydroxyethyl)-1,3-dioxan-4-ol
SMILESOCCC1OCCC(O)O1
InChIInChI=1S/C6H12O4/c7-3-1-6-9-4-2-5(8)10-6/h5-8H,1-4H2
InChIKeyCMFSVRNUSJXFLF-UHFFFAOYSA-N
XLogP-0.55
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-1,3-dioxan-4-ol?
The IUPAC name of 2-(2-hydroxyethyl)-1,3-dioxan-4-ol (CID 11392858) is 2-(2-hydroxyethyl)-1,3-dioxan-4-ol.
What is the SMILES notation for 2-(2-hydroxyethyl)-1,3-dioxan-4-ol?
The canonical SMILES for 2-(2-hydroxyethyl)-1,3-dioxan-4-ol is OCCC1OCCC(O)O1.
What is the InChIKey of 2-(2-hydroxyethyl)-1,3-dioxan-4-ol?
The InChIKey is CMFSVRNUSJXFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c7-3-1-6-9-4-2-5(8)10-6/h5-8H,1-4H2.
What are the key properties of 2-(2-hydroxyethyl)-1,3-dioxan-4-ol?
2-(2-hydroxyethyl)-1,3-dioxan-4-ol has a molecular weight of 148.16 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-1,3-dioxan-4-ol is sourced from PubChem (CID 11392858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).