ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate

C15H18O7 — CID 11130686

IUPACethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate
SMILESC=C=C[C@@]1(C(=O)OCC)O[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@@H]2C1=O
InChIInChI=1S/C15H18O7/c1-5-7-15(13(17)18-6-2)11(16)9-8(21-15)10-12(19-9)22-14(3,4)20-10/h7-10,12H,1,6H2,2-4H3/t8-,9-,10+,12+,15+/m0/s1
InChIKeyFQFDFWVWVPRENC-BCLHGEQCSA-N
MW310.30 g/mol
LogP0.47
Rot. Bonds3

About ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate

ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate (PubChem CID 11130686) has the molecular formula C15H18O7 and a molecular weight of 310.30 g/mol. Its IUPAC name is ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate
PubChem CID11130686
Molecular FormulaC15H18O7
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Nameethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate
SMILESC=C=C[C@@]1(C(=O)OCC)O[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@@H]2C1=O
InChIInChI=1S/C15H18O7/c1-5-7-15(13(17)18-6-2)11(16)9-8(21-15)10-12(19-9)22-14(3,4)20-10/h7-10,12H,1,6H2,2-4H3/t8-,9-,10+,12+,15+/m0/s1
InChIKeyFQFDFWVWVPRENC-BCLHGEQCSA-N
XLogP0.47
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate 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

(4,4-Dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methylnon-8-enoate
CID 132044013
(3S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxy-3-prop-2-enyloxolane-2,4-dione
CID 10469826
ethyl (1R,2R,6R,8S,10S)-4,4-dimethyl-9-oxo-10-prop-2-enyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate
CID 10733866
(3R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxy-3-prop-2-enyloxolane-2,4-dione
CID 11087745

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate?
The IUPAC name of ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate (CID 11130686) is ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate.
What is the SMILES notation for ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate?
The canonical SMILES for ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate is C=C=C[C@@]1(C(=O)OCC)O[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@@H]2C1=O.
What is the InChIKey of ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate?
The InChIKey is FQFDFWVWVPRENC-BCLHGEQCSA-N. The full InChI is InChI=1S/C15H18O7/c1-5-7-15(13(17)18-6-2)11(16)9-8(21-15)10-12(19-9)22-14(3,4)20-10/h7-10,12H,1,6H2,2-4H3/t8-,9-,10+,12+,15+/m0/s1.
What are the key properties of ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate?
ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate has a molecular weight of 310.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R,6R,8S,10R)-4,4-dimethyl-9-oxo-10-propa-1,2-dienyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate is sourced from PubChem (CID 11130686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).