methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate

C14H14O9 — CID 10245810

IUPACmethyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate
SMILESCOC(=O)C1=C[C@@H](O)[C@H]2OC(=O)[C@@]3(C)OC[C@@]34O[C@@H]2[C@@H]1OC4=O
InChIInChI=1S/C14H14O9/c1-13-11(17)22-8-6(15)3-5(10(16)19-2)7-9(8)23-14(13,4-20-13)12(18)21-7/h3,6-9,15H,4H2,1-2H3/t6-,7-,8-,9-,13-,14+/m1/s1
InChIKeyVMAYLJRWPMGHOI-NGRDJCNTSA-N
MW326.26 g/mol
LogP-1.78
Rot. Bonds1

About methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate

methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate (PubChem CID 10245810) has the molecular formula C14H14O9 and a molecular weight of 326.26 g/mol. Its IUPAC name is methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate.

Molecular Properties

Compound Namemethyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate
PubChem CID10245810
Molecular FormulaC14H14O9
Molecular Weight326.26 g/mol
Exact Mass326.06
IUPAC Namemethyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate
SMILESCOC(=O)C1=C[C@@H](O)[C@H]2OC(=O)[C@@]3(C)OC[C@@]34O[C@@H]2[C@@H]1OC4=O
InChIInChI=1S/C14H14O9/c1-13-11(17)22-8-6(15)3-5(10(16)19-2)7-9(8)23-14(13,4-20-13)12(18)21-7/h3,6-9,15H,4H2,1-2H3/t6-,7-,8-,9-,13-,14+/m1/s1
InChIKeyVMAYLJRWPMGHOI-NGRDJCNTSA-N
XLogP-1.78
TPSA117.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-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

methyl (3aR,6R,7R,7aS)-6,7-dihydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
CID 10824175
methyl (3aS,4S,7R,7aS)-4-chloro-7-hydroxyspiro[3a,4,7,7a-tetrahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-carboxylate
CID 25034179
dimethyl 8-iodo-4,4-dimethyl-3-oxo-2-oxa-9-azabicyclo[3.3.1]non-6-ene-7,9-dicarboxylate
CID 73009815
methyl (1'R,2R,4'S,4aR,5S,5'S,8'Z,8aR)-5,5'-dihydroxy-8'-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1',5'-dimethyl-3,6',7'-trioxospiro[4a,5,8,8a-tetrahydro-1,4-benzodioxine-2,2'-bicyclo[2.2.2]octane]-7-carboxylate
CID 163035582
methyl (3aR,7aS)-2,2-diethyl-7-hydroxy-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 146399097
methyl (3aR,4S,7aR)-4-acetyloxy-7-oxospiro[4,7a-dihydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-5-carboxylate
CID 134865759
methyl (1R,7S)-4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8-carboxylate
CID 10633545
N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide
CID 14413086
methyl (4aR,9S,10R,10aR,10bR)-2-(furan-3-yl)-4a,9,10,10a-tetrahydroxy-6,10b-dimethyl-4-oxo-2,5,6,6a,9,10-hexahydro-1H-benzo[f]isochromene-7-carboxylate
CID 163673951
methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate
CID 14540627
methyl (1R,2S,6S,7S)-1,11,11-trimethoxy-10-oxo-3-oxatricyclo[5.2.2.02,6]undec-8-ene-8-carboxylate
CID 101026417
methyl 3,5,9-trioxo-4-phenyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-ene-11-carboxylate
CID 12595119

Frequently Asked Questions

What is the IUPAC name of methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate?
The IUPAC name of methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate (CID 10245810) is methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate.
What is the SMILES notation for methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate?
The canonical SMILES for methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate is COC(=O)C1=C[C@@H](O)[C@H]2OC(=O)[C@@]3(C)OC[C@@]34O[C@@H]2[C@@H]1OC4=O.
What is the InChIKey of methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate?
The InChIKey is VMAYLJRWPMGHOI-NGRDJCNTSA-N. The full InChI is InChI=1S/C14H14O9/c1-13-11(17)22-8-6(15)3-5(10(16)19-2)7-9(8)23-14(13,4-20-13)12(18)21-7/h3,6-9,15H,4H2,1-2H3/t6-,7-,8-,9-,13-,14+/m1/s1.
What are the key properties of methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate?
methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate has a molecular weight of 326.26 g/mol, XLogP of -1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,4R,7R,8R,11S,15R)-7-hydroxy-11-methyl-2,10-dioxo-3,9,12,14-tetraoxatetracyclo[6.5.2.01,11.04,15]pentadec-5-ene-5-carboxylate is sourced from PubChem (CID 10245810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).