(6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane

C7H12O2 — CID 126699218

IUPAC(6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane
SMILESCOC1CCC[C@H]2OC12
InChIInChI=1S/C7H12O2/c1-8-5-3-2-4-6-7(5)9-6/h5-7H,2-4H2,1H3/t5?,6-,7?/m1/s1
InChIKeyKWJHSSMOIDGGFM-YURFNIAASA-N
MW128.17 g/mol
LogP0.95
Rot. Bonds1

About (6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane

(6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane (PubChem CID 126699218) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane
PubChem CID126699218
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane
SMILESCOC1CCC[C@H]2OC12
InChIInChI=1S/C7H12O2/c1-8-5-3-2-4-6-7(5)9-6/h5-7H,2-4H2,1H3/t5?,6-,7?/m1/s1
InChIKeyKWJHSSMOIDGGFM-YURFNIAASA-N
XLogP0.95
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.95
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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Frequently Asked Questions

What is the IUPAC name of (6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane (CID 126699218) is (6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane is COC1CCC[C@H]2OC12.
What is the InChIKey of (6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane?
The InChIKey is KWJHSSMOIDGGFM-YURFNIAASA-N. The full InChI is InChI=1S/C7H12O2/c1-8-5-3-2-4-6-7(5)9-6/h5-7H,2-4H2,1H3/t5?,6-,7?/m1/s1.
What are the key properties of (6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane?
(6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane has a molecular weight of 128.17 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 126699218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).