(1S,6R)-7-oxabicyclo[4.1.0]heptane

C6H10O — CID 637978

IUPAC(1S,6R)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC[C@H]2O[C@H]2C1
InChIInChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2/t5-,6+
InChIKeyZWAJLVLEBYIOTI-OLQVQODUSA-N
MW98.15 g/mol
LogP1.33
Rot. Bonds

About (1S,6R)-7-oxabicyclo[4.1.0]heptane

(1S,6R)-7-oxabicyclo[4.1.0]heptane (PubChem CID 637978) has the molecular formula C6H10O and a molecular weight of 98.15 g/mol. Its IUPAC name is (1S,6R)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6R)-7-oxabicyclo[4.1.0]heptane
PubChem CID637978
Molecular FormulaC6H10O
Molecular Weight98.15 g/mol
Exact Mass98.07
IUPAC Name(1S,6R)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC[C@H]2O[C@H]2C1
InChIInChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2/t5-,6+
InChIKeyZWAJLVLEBYIOTI-OLQVQODUSA-N
XLogP1.33
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 ≤ 51.33
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,6R)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (1S,6R)-7-oxabicyclo[4.1.0]heptane (CID 637978) is (1S,6R)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6R)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6R)-7-oxabicyclo[4.1.0]heptane is C1CC[C@H]2O[C@H]2C1.
What is the InChIKey of (1S,6R)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is ZWAJLVLEBYIOTI-OLQVQODUSA-N. The full InChI is InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2/t5-,6+.
What are the key properties of (1S,6R)-7-oxabicyclo[4.1.0]heptane?
(1S,6R)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 98.15 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 637978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).