(1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione

C15H18O4 — CID 10491712

IUPAC(1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione
SMILESC=CC[C@@H]1OC(=O)[C@@H]2[C@H]1C[C@H]1[C@@H]2C(=O)O[C@@H]1CC=C
InChIInChI=1S/C15H18O4/c1-3-5-10-8-7-9-11(6-4-2)19-15(17)13(9)12(8)14(16)18-10/h3-4,8-13H,1-2,5-7H2/t8-,9+,10-,11+,12+,13-
InChIKeyGYGLTFUWEHYVLE-QOHPJAFVSA-N
MW262.30 g/mol
LogP1.86
Rot. Bonds4

About (1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione

(1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione (PubChem CID 10491712) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is (1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione.

Molecular Properties

Compound Name(1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione
PubChem CID10491712
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name(1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione
SMILESC=CC[C@@H]1OC(=O)[C@@H]2[C@H]1C[C@H]1[C@@H]2C(=O)O[C@@H]1CC=C
InChIInChI=1S/C15H18O4/c1-3-5-10-8-7-9-11(6-4-2)19-15(17)13(9)12(8)14(16)18-10/h3-4,8-13H,1-2,5-7H2/t8-,9+,10-,11+,12+,13-
InChIKeyGYGLTFUWEHYVLE-QOHPJAFVSA-N
XLogP1.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione 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

(1S,2R,6R,7R,8R)-2-but-3-enyl-1,7,8-trimethyl-3,10-dioxatricyclo[6.3.0.02,6]undecane-4,9-dione
CID 58681974
(1R,2S,5S,6R,8S,9R)-5,9-bis(prop-2-enyl)-7-trimethylsilyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione
CID 10496967
methyl (4aR,7aS)-2,3,3a,4,4a,5,7a,7b-octahydropentaleno[1,2-b]furan-4-carboxylate
CID 10584479
(1S,2R,5S,6R,8S)-5-prop-2-enyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione
CID 10775385
ethyl (3R,3aR,6S,6aR)-3-heptyl-4-methylidene-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
CID 11011862
ethyl (3S,3aR,6R,6aS)-3-heptyl-4-methylidene-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
CID 15253225
(2AS,3S,3AR,5AS,6AS,6BS,6CS)-2-Oxo-2A,3,3A,5A,6,6A,6B,6C-octahydro-2H-cyclopenta[3,4]pentaleno[1,6-BC]furan-3-carboxylic acid
CID 90482334
Methyl (3S)-2-oxo-2A,3,3A,5A,6,6A,6B,6C-octahydro-2H-cyclopenta[3,4]pentaleno[1,6-BC]furan-3-carboxylate
CID 90482335
2-oxo-2a,3,3a,5a,6,6a,6b,6c-octahydro-2H-cyclopenta[3,4]pentaleno[1,6-bc]furan-3-carboxylic acid
CID 91944703
methyl (1R,4S,5S,6S,9R,10S,11R)-3-oxo-2-oxatetracyclo[7.2.1.04,11.06,10]dodec-7-ene-5-carboxylate
CID 93970614
methyl (1R,4S,5S,6R,9S,10S,11R)-3-oxo-2-oxatetracyclo[7.2.1.04,11.06,10]dodec-7-ene-5-carboxylate
CID 93970615
methyl (1R,4S,5S,6R,9R,10S,11R)-3-oxo-2-oxatetracyclo[7.2.1.04,11.06,10]dodec-7-ene-5-carboxylate
CID 98172843

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione?
The IUPAC name of (1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione (CID 10491712) is (1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione.
What is the SMILES notation for (1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione?
The canonical SMILES for (1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione is C=CC[C@@H]1OC(=O)[C@@H]2[C@H]1C[C@H]1[C@@H]2C(=O)O[C@@H]1CC=C.
What is the InChIKey of (1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione?
The InChIKey is GYGLTFUWEHYVLE-QOHPJAFVSA-N. The full InChI is InChI=1S/C15H18O4/c1-3-5-10-8-7-9-11(6-4-2)19-15(17)13(9)12(8)14(16)18-10/h3-4,8-13H,1-2,5-7H2/t8-,9+,10-,11+,12+,13-.
What are the key properties of (1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione?
(1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione has a molecular weight of 262.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6S,8R,9S)-5,9-bis(prop-2-enyl)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,11-dione is sourced from PubChem (CID 10491712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).