(1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene

C7H10O — CID 10964434

IUPAC(1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene
SMILESC1=C[C@@H]2O[C@@H]2CCC1
InChIInChI=1S/C7H10O/c1-2-4-6-7(8-6)5-3-1/h2,4,6-7H,1,3,5H2/t6-,7+/m0/s1
InChIKeyAICQGEJAVPVHGQ-NKWVEPMBSA-N
MW110.16 g/mol
LogP1.49
Rot. Bonds

About (1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene

(1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene (PubChem CID 10964434) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene.

Molecular Properties

Compound Name(1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene
PubChem CID10964434
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene
SMILESC1=C[C@@H]2O[C@@H]2CCC1
InChIInChI=1S/C7H10O/c1-2-4-6-7(8-6)5-3-1/h2,4,6-7H,1,3,5H2/t6-,7+/m0/s1
InChIKeyAICQGEJAVPVHGQ-NKWVEPMBSA-N
XLogP1.49
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene?
The IUPAC name of (1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene (CID 10964434) is (1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene.
What is the SMILES notation for (1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene?
The canonical SMILES for (1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene is C1=C[C@@H]2O[C@@H]2CCC1.
What is the InChIKey of (1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene?
The InChIKey is AICQGEJAVPVHGQ-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H10O/c1-2-4-6-7(8-6)5-3-1/h2,4,6-7H,1,3,5H2/t6-,7+/m0/s1.
What are the key properties of (1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene?
(1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene has a molecular weight of 110.16 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-8-oxabicyclo[5.1.0]oct-2-ene is sourced from PubChem (CID 10964434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).