5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol

C10H18O4 — CID 163690105

IUPAC5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol
SMILESCC1COC(C2CCC(O)OC2)OC1
InChIInChI=1S/C10H18O4/c1-7-4-13-10(14-5-7)8-2-3-9(11)12-6-8/h7-11H,2-6H2,1H3
InChIKeyJSGFDSJNGOAWHB-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.74
Rot. Bonds1

About 5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol

5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol (PubChem CID 163690105) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol.

Molecular Properties

Compound Name5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol
PubChem CID163690105
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol
SMILESCC1COC(C2CCC(O)OC2)OC1
InChIInChI=1S/C10H18O4/c1-7-4-13-10(14-5-7)8-2-3-9(11)12-6-8/h7-11H,2-6H2,1H3
InChIKeyJSGFDSJNGOAWHB-UHFFFAOYSA-N
XLogP0.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(5R)-5-methyloxan-2-ol
CID 159421753
2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 21359943
4-methyloxolan-2-ol
CID 11007834
oxane-2,5-diol
CID 14502564
2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane
CID 70948958
5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane
CID 59876818
2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane
CID 18344196
(2-chloro-3-fluoro-4-methylcyclohexyl)-[5-(5-methyl-1,3-dioxan-2-yl)oxan-2-yl]methanone
CID 159032159
2,7-dioxabicyclo[3.2.0]heptane
CID 118053300
5-(4-methylcyclohexyl)-2-[(3S)-3,4,5-trifluorocyclohexyl]-1,3-dioxane
CID 89343824
[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[5-(5-methyl-1,3-dioxan-2-yl)oxan-2-yl]methanone
CID 159032163
2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane
CID 54078523

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol?
The IUPAC name of 5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol (CID 163690105) is 5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol.
What is the SMILES notation for 5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol?
The canonical SMILES for 5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol is CC1COC(C2CCC(O)OC2)OC1.
What is the InChIKey of 5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol?
The InChIKey is JSGFDSJNGOAWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7-4-13-10(14-5-7)8-2-3-9(11)12-6-8/h7-11H,2-6H2,1H3.
What are the key properties of 5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol?
5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol has a molecular weight of 202.25 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol is sourced from PubChem (CID 163690105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).