(1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one

C6H8O3 — CID 67594160

IUPAC(1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OCC2C[C@@]12CO
InChIInChI=1S/C6H8O3/c7-3-6-1-4(6)2-9-5(6)8/h4,7H,1-3H2/t4?,6-/m0/s1
InChIKeyJQKCKKCEDZGBCW-RZKHNPSRSA-N
MW128.13 g/mol
LogP-0.46
Rot. Bonds1

About (1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one

(1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 67594160) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID67594160
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OCC2C[C@@]12CO
InChIInChI=1S/C6H8O3/c7-3-6-1-4(6)2-9-5(6)8/h4,7H,1-3H2/t4?,6-/m0/s1
InChIKeyJQKCKKCEDZGBCW-RZKHNPSRSA-N
XLogP-0.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one (CID 67594160) is (1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one is O=C1OCC2C[C@@]12CO.
What is the InChIKey of (1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is JQKCKKCEDZGBCW-RZKHNPSRSA-N. The full InChI is InChI=1S/C6H8O3/c7-3-6-1-4(6)2-9-5(6)8/h4,7H,1-3H2/t4?,6-/m0/s1.
What are the key properties of (1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one?
(1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 128.13 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 67594160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).