(1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one

C10H12O3 — CID 102313964

IUPAC(1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESC=CCO[C@@H]1C[C@H]2O[C@@H]1C=CC2=O
InChIInChI=1S/C10H12O3/c1-2-5-12-10-6-9-7(11)3-4-8(10)13-9/h2-4,8-10H,1,5-6H2/t8-,9-,10-/m1/s1
InChIKeyVRRYJMXQDHRDPQ-OPRDCNLKSA-N
MW180.20 g/mol
LogP0.85
Rot. Bonds3

About (1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one

(1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one (PubChem CID 102313964) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name(1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
PubChem CID102313964
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESC=CCO[C@@H]1C[C@H]2O[C@@H]1C=CC2=O
InChIInChI=1S/C10H12O3/c1-2-5-12-10-6-9-7(11)3-4-8(10)13-9/h2-4,8-10H,1,5-6H2/t8-,9-,10-/m1/s1
InChIKeyVRRYJMXQDHRDPQ-OPRDCNLKSA-N
XLogP0.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Oxabicyclo[3.2.1]oct-3-en-2-one
CID 57469482
(1R,5R,6R)-6-ethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031646
6-Ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031647
(1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 53391482
(7E)-7-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 102250742
(1S,5R,7E)-7-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 11217441
6-Ethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031644
(1R,5S,6R)-6-ethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031645
(1R,5S)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 102054560
(1S,5S,6S)-6-ethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 102579613
(1R,5S,6S)-6-ethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 129404103

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of (1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one (CID 102313964) is (1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for (1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for (1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one is C=CCO[C@@H]1C[C@H]2O[C@@H]1C=CC2=O.
What is the InChIKey of (1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is VRRYJMXQDHRDPQ-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-5-12-10-6-9-7(11)3-4-8(10)13-9/h2-4,8-10H,1,5-6H2/t8-,9-,10-/m1/s1.
What are the key properties of (1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one?
(1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 180.20 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-6-prop-2-enoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 102313964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).