(1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane

C6H10O2 — CID 142869266

IUPAC(1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane
SMILESCO[C@H]1OC[C@@H]2C[C@@H]21
InChIInChI=1S/C6H10O2/c1-7-6-5-2-4(5)3-8-6/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1
InChIKeyLBGZFVNLGBBDKM-ZLUOBGJFSA-N
MW114.14 g/mol
LogP0.63
Rot. Bonds1

About (1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane

(1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane (PubChem CID 142869266) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane
PubChem CID142869266
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane
SMILESCO[C@H]1OC[C@@H]2C[C@@H]21
InChIInChI=1S/C6H10O2/c1-7-6-5-2-4(5)3-8-6/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1
InChIKeyLBGZFVNLGBBDKM-ZLUOBGJFSA-N
XLogP0.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane?
The IUPAC name of (1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane (CID 142869266) is (1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane is CO[C@H]1OC[C@@H]2C[C@@H]21.
What is the InChIKey of (1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane?
The InChIKey is LBGZFVNLGBBDKM-ZLUOBGJFSA-N. The full InChI is InChI=1S/C6H10O2/c1-7-6-5-2-4(5)3-8-6/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1.
What are the key properties of (1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane?
(1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane has a molecular weight of 114.14 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 142869266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).