(1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane

C6H10O — CID 59962582

IUPAC(1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane
SMILESCC1C[C@@H]2O[C@@H]2C1
InChIInChI=1S/C6H10O/c1-4-2-5-6(3-4)7-5/h4-6H,2-3H2,1H3/t4?,5-,6+
InChIKeyBMCYHRDIQUGCGT-GOHHTPAQSA-N
MW98.15 g/mol
LogP1.18
Rot. Bonds

About (1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane

(1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane (PubChem CID 59962582) has the molecular formula C6H10O and a molecular weight of 98.15 g/mol. Its IUPAC name is (1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane
PubChem CID59962582
Molecular FormulaC6H10O
Molecular Weight98.15 g/mol
Exact Mass98.07
IUPAC Name(1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane
SMILESCC1C[C@@H]2O[C@@H]2C1
InChIInChI=1S/C6H10O/c1-4-2-5-6(3-4)7-5/h4-6H,2-3H2,1H3/t4?,5-,6+
InChIKeyBMCYHRDIQUGCGT-GOHHTPAQSA-N
XLogP1.18
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane (CID 59962582) is (1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane is CC1C[C@@H]2O[C@@H]2C1.
What is the InChIKey of (1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane?
The InChIKey is BMCYHRDIQUGCGT-GOHHTPAQSA-N. The full InChI is InChI=1S/C6H10O/c1-4-2-5-6(3-4)7-5/h4-6H,2-3H2,1H3/t4?,5-,6+.
What are the key properties of (1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane?
(1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane has a molecular weight of 98.15 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 59962582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).