(5R)-2,6-dioxabicyclo[3.1.0]hexane

C4H6O2 — CID 174637140

IUPAC(5R)-2,6-dioxabicyclo[3.1.0]hexane
SMILESC1C[C@H]2OC2O1
InChIInChI=1S/C4H6O2/c1-2-5-4-3(1)6-4/h3-4H,1-2H2/t3-,4?/m1/s1
InChIKeyGOKABALRNHVSMJ-SYPWQXSBSA-N
MW86.09 g/mol
LogP0.13
Rot. Bonds

About (5R)-2,6-dioxabicyclo[3.1.0]hexane

(5R)-2,6-dioxabicyclo[3.1.0]hexane (PubChem CID 174637140) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is (5R)-2,6-dioxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(5R)-2,6-dioxabicyclo[3.1.0]hexane
PubChem CID174637140
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Name(5R)-2,6-dioxabicyclo[3.1.0]hexane
SMILESC1C[C@H]2OC2O1
InChIInChI=1S/C4H6O2/c1-2-5-4-3(1)6-4/h3-4H,1-2H2/t3-,4?/m1/s1
InChIKeyGOKABALRNHVSMJ-SYPWQXSBSA-N
XLogP0.13
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 141055839
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methanol
CID 144869586
(2R,6S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecane
CID 139200718
2,7-dioxabicyclo[3.2.0]heptane
CID 118053300
2-cyclopropyloxetane
CID 102488279
4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 146474205
2,3,3a,4,5,7,8,8a-octahydrofuro[2,3-d]oxepine
CID 118209812
5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 118906429
oxetan-2-ol
CID 175273147
2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine
CID 544816
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CID 99944902

Frequently Asked Questions

What is the IUPAC name of (5R)-2,6-dioxabicyclo[3.1.0]hexane?
The IUPAC name of (5R)-2,6-dioxabicyclo[3.1.0]hexane (CID 174637140) is (5R)-2,6-dioxabicyclo[3.1.0]hexane.
What is the SMILES notation for (5R)-2,6-dioxabicyclo[3.1.0]hexane?
The canonical SMILES for (5R)-2,6-dioxabicyclo[3.1.0]hexane is C1C[C@H]2OC2O1.
What is the InChIKey of (5R)-2,6-dioxabicyclo[3.1.0]hexane?
The InChIKey is GOKABALRNHVSMJ-SYPWQXSBSA-N. The full InChI is InChI=1S/C4H6O2/c1-2-5-4-3(1)6-4/h3-4H,1-2H2/t3-,4?/m1/s1.
What are the key properties of (5R)-2,6-dioxabicyclo[3.1.0]hexane?
(5R)-2,6-dioxabicyclo[3.1.0]hexane has a molecular weight of 86.09 g/mol, XLogP of 0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,6-dioxabicyclo[3.1.0]hexane is sourced from PubChem (CID 174637140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).