methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate

C20H22O6 — CID 24879942

IUPACmethyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate
SMILESCOC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)[C@@H]1OC(C)(C)O[C@H]21
InChIInChI=1S/C20H22O6/c1-19(2)17-16(25-20(3,4)26-17)13-12(18(22)23-5)14(21)10-8-6-7-9-11(10)15(13)24-19/h6-9,16-17,21H,1-5H3/t16-,17-/m1/s1
InChIKeyMWPVOHUKAWEPIX-IAGOWNOFSA-N
MW358.39 g/mol
LogP3.70
Rot. Bonds1

About methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate

methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate (PubChem CID 24879942) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate.

Molecular Properties

Compound Namemethyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate
PubChem CID24879942
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Namemethyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate
SMILESCOC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)[C@@H]1OC(C)(C)O[C@H]21
InChIInChI=1S/C20H22O6/c1-19(2)17-16(25-20(3,4)26-17)13-12(18(22)23-5)14(21)10-8-6-7-9-11(10)15(13)24-19/h6-9,16-17,21H,1-5H3/t16-,17-/m1/s1
InChIKeyMWPVOHUKAWEPIX-IAGOWNOFSA-N
XLogP3.70
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate?
The IUPAC name of methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate (CID 24879942) is methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate.
What is the SMILES notation for methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate?
The canonical SMILES for methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate is COC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)[C@@H]1OC(C)(C)O[C@H]21.
What is the InChIKey of methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate?
The InChIKey is MWPVOHUKAWEPIX-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H22O6/c1-19(2)17-16(25-20(3,4)26-17)13-12(18(22)23-5)14(21)10-8-6-7-9-11(10)15(13)24-19/h6-9,16-17,21H,1-5H3/t16-,17-/m1/s1.
What are the key properties of methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate?
methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (11R,15R)-8-hydroxy-13,13,16,16-tetramethyl-12,14,17-trioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene-9-carboxylate is sourced from PubChem (CID 24879942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).