(1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one

C4H4O3 — CID 14557073

IUPAC(1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OC[C@H]2O[C@@H]12
InChIInChI=1S/C4H4O3/c5-4-3-2(7-3)1-6-4/h2-3H,1H2/t2-,3-/m1/s1
InChIKeyZEHAHQNJTOLTDB-PWNYCUMCSA-N
MW100.07 g/mol
LogP-0.69
Rot. Bonds

About (1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one

(1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one (PubChem CID 14557073) has the molecular formula C4H4O3 and a molecular weight of 100.07 g/mol. Its IUPAC name is (1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one
PubChem CID14557073
Molecular FormulaC4H4O3
Molecular Weight100.07 g/mol
Exact Mass100.02
IUPAC Name(1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OC[C@H]2O[C@@H]12
InChIInChI=1S/C4H4O3/c5-4-3-2(7-3)1-6-4/h2-3H,1H2/t2-,3-/m1/s1
InChIKeyZEHAHQNJTOLTDB-PWNYCUMCSA-N
XLogP-0.69
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.07
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one with MolForge

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Related Compounds

(3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one
CID 10329310
(1S,5S)-3,6,8-trioxabicyclo[3.2.1]octan-2-one
CID 11819103
3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione
CID 22034553
(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 98044810
(1R,4S,6R)-4-(chloromethyl)-3,7-dioxabicyclo[4.1.0]heptan-2-one
CID 55253211
(1S,5S,6R)-5-hydroxy-3,7-dioxabicyclo[4.2.1]nonan-2-one
CID 98093688
(2S,4aR)-2-methoxy-2,3,4,4a,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-5-one
CID 90920326
3,4-dimethyloxolan-2-one
CID 15090448
3,4-bis(sulfanyl)oxolan-2-one
CID 87332773
(3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one
CID 131176445
(3R,4S,5R,6R)-4,5,6-trihydroxy-3-sulfanyloxepan-2-one
CID 89253142
(3R,4R)-3-hydroxy-4-methyloxolan-2-one
CID 10953469

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one (CID 14557073) is (1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one is O=C1OC[C@H]2O[C@@H]12.
What is the InChIKey of (1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one?
The InChIKey is ZEHAHQNJTOLTDB-PWNYCUMCSA-N. The full InChI is InChI=1S/C4H4O3/c5-4-3-2(7-3)1-6-4/h2-3H,1H2/t2-,3-/m1/s1.
What are the key properties of (1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one?
(1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one has a molecular weight of 100.07 g/mol, XLogP of -0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 14557073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).