3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol

C7H12O3 — CID 58183696

IUPAC3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol
SMILESOC1COC2CCCC2O1
InChIInChI=1S/C7H12O3/c8-7-4-9-5-2-1-3-6(5)10-7/h5-8H,1-4H2
InChIKeyAUKPXZLCUOKXTG-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.27
Rot. Bonds

About 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol (PubChem CID 58183696) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol.

Molecular Properties

Compound Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol
PubChem CID58183696
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol
SMILESOC1COC2CCCC2O1
InChIInChI=1S/C7H12O3/c8-7-4-9-5-2-1-3-6(5)10-7/h5-8H,1-4H2
InChIKeyAUKPXZLCUOKXTG-UHFFFAOYSA-N
XLogP0.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol with MolForge

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Related Compounds

2-cyclopentyl-1,3-dioxolan-4-ol
CID 67076221
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol
CID 14045022
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
(3R,4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxine-3-carboxylic acid
CID 68999663
2-(oxiran-2-yl)oxolane
CID 18759351
(2R,5R)-1,4-dioxane-2,5-diol
CID 7269377
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 59720902
3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol
CID 586626
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444

Frequently Asked Questions

What is the IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol?
The IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol (CID 58183696) is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol.
What is the SMILES notation for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol?
The canonical SMILES for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol is OC1COC2CCCC2O1.
What is the InChIKey of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol?
The InChIKey is AUKPXZLCUOKXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-7-4-9-5-2-1-3-6(5)10-7/h5-8H,1-4H2.
What are the key properties of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol?
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol has a molecular weight of 144.17 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol is sourced from PubChem (CID 58183696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).