2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol

C10H20O4 — CID 71346024

IUPAC2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
SMILESCC1(C)OC(CCO)CC(CCO)O1
InChIInChI=1S/C10H20O4/c1-10(2)13-8(3-5-11)7-9(14-10)4-6-12/h8-9,11-12H,3-7H2,1-2H3
InChIKeyQBSYFLOZRBYJSJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.66
Rot. Bonds4

About 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol

2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol (PubChem CID 71346024) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
PubChem CID71346024
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
SMILESCC1(C)OC(CCO)CC(CCO)O1
InChIInChI=1S/C10H20O4/c1-10(2)13-8(3-5-11)7-9(14-10)4-6-12/h8-9,11-12H,3-7H2,1-2H3
InChIKeyQBSYFLOZRBYJSJ-UHFFFAOYSA-N
XLogP0.66
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
The IUPAC name of 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol (CID 71346024) is 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol.
What is the SMILES notation for 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
The canonical SMILES for 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol is CC1(C)OC(CCO)CC(CCO)O1.
What is the InChIKey of 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
The InChIKey is QBSYFLOZRBYJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-10(2)13-8(3-5-11)7-9(14-10)4-6-12/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol has a molecular weight of 204.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol is sourced from PubChem (CID 71346024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).