5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol

C8H16O4 — CID 14605480

IUPAC5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OCC(O)(CCO)CO1
InChIInChI=1S/C8H16O4/c1-7(2)11-5-8(10,3-4-9)6-12-7/h9-10H,3-6H2,1-2H3
InChIKeyWSYASTJBWWUIEU-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.12
Rot. Bonds2

About 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol

5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol (PubChem CID 14605480) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol
PubChem CID14605480
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OCC(O)(CCO)CO1
InChIInChI=1S/C8H16O4/c1-7(2)11-5-8(10,3-4-9)6-12-7/h9-10H,3-6H2,1-2H3
InChIKeyWSYASTJBWWUIEU-UHFFFAOYSA-N
XLogP-0.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol?
The IUPAC name of 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol (CID 14605480) is 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol.
What is the SMILES notation for 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol?
The canonical SMILES for 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol is CC1(C)OCC(O)(CCO)CO1.
What is the InChIKey of 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol?
The InChIKey is WSYASTJBWWUIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-7(2)11-5-8(10,3-4-9)6-12-7/h9-10H,3-6H2,1-2H3.
What are the key properties of 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol?
5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol has a molecular weight of 176.21 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-ol is sourced from PubChem (CID 14605480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).