2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol

C8H16O3 — CID 4192179

IUPAC2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol
SMILESCC1(C)COC(CCO)OC1
InChIInChI=1S/C8H16O3/c1-8(2)5-10-7(3-4-9)11-6-8/h7,9H,3-6H2,1-2H3
InChIKeyHYGOOWUTSBFURW-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.77
Rot. Bonds2

About 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol

2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol (PubChem CID 4192179) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol
PubChem CID4192179
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol
SMILESCC1(C)COC(CCO)OC1
InChIInChI=1S/C8H16O3/c1-8(2)5-10-7(3-4-9)11-6-8/h7,9H,3-6H2,1-2H3
InChIKeyHYGOOWUTSBFURW-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol?
The IUPAC name of 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol (CID 4192179) is 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol.
What is the SMILES notation for 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol?
The canonical SMILES for 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol is CC1(C)COC(CCO)OC1.
What is the InChIKey of 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol?
The InChIKey is HYGOOWUTSBFURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2)5-10-7(3-4-9)11-6-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol?
2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol has a molecular weight of 160.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol is sourced from PubChem (CID 4192179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).