[(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate

C24H26O10 — CID 163025951

IUPAC[(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate
SMILESCC(=O)OCC1=C2/C(=C\[C@@]3(C)OC(=CC3=O)[C@@H](C)C[C@@H]2OC(=O)/C=C(/C)COC(C)=O)OC1=O
InChIInChI=1S/C24H26O10/c1-12(10-30-14(3)25)6-21(28)32-18-7-13(2)17-8-20(27)24(5,34-17)9-19-22(18)16(23(29)33-19)11-31-15(4)26/h6,8-9,13,18H,7,10-11H2,1-5H3/b12-6-,19-9+/t13-,18-,24+/m0/s1
InChIKeyHDIOUNGYJGHESU-OIIWIKLRSA-N
MW474.46 g/mol
LogP1.99
Rot. Bonds6

About [(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate

[(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate (PubChem CID 163025951) has the molecular formula C24H26O10 and a molecular weight of 474.46 g/mol. Its IUPAC name is [(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate.

Molecular Properties

Compound Name[(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate
PubChem CID163025951
Molecular FormulaC24H26O10
Molecular Weight474.46 g/mol
Exact Mass474.15
IUPAC Name[(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate
SMILESCC(=O)OCC1=C2/C(=C\[C@@]3(C)OC(=CC3=O)[C@@H](C)C[C@@H]2OC(=O)/C=C(/C)COC(C)=O)OC1=O
InChIInChI=1S/C24H26O10/c1-12(10-30-14(3)25)6-21(28)32-18-7-13(2)17-8-20(27)24(5,34-17)9-19-22(18)16(23(29)33-19)11-31-15(4)26/h6,8-9,13,18H,7,10-11H2,1-5H3/b12-6-,19-9+/t13-,18-,24+/m0/s1
InChIKeyHDIOUNGYJGHESU-OIIWIKLRSA-N
XLogP1.99
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate?
The IUPAC name of [(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate (CID 163025951) is [(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate.
What is the SMILES notation for [(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate?
The canonical SMILES for [(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate is CC(=O)OCC1=C2/C(=C\[C@@]3(C)OC(=CC3=O)[C@@H](C)C[C@@H]2OC(=O)/C=C(/C)COC(C)=O)OC1=O.
What is the InChIKey of [(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate?
The InChIKey is HDIOUNGYJGHESU-OIIWIKLRSA-N. The full InChI is InChI=1S/C24H26O10/c1-12(10-30-14(3)25)6-21(28)32-18-7-13(2)17-8-20(27)24(5,34-17)9-19-22(18)16(23(29)33-19)11-31-15(4)26/h6,8-9,13,18H,7,10-11H2,1-5H3/b12-6-,19-9+/t13-,18-,24+/m0/s1.
What are the key properties of [(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate?
[(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate has a molecular weight of 474.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2E,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] (Z)-4-acetyloxy-3-methylbut-2-enoate is sourced from PubChem (CID 163025951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).