methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate

C25H24O6 — CID 14409660

IUPACmethyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate
SMILESCOC(=O)c1ccc2c(OC)c3c(c(OC)c2c1)C1CC3c2c(OC)ccc(OC)c21
InChIInChI=1S/C25H24O6/c1-27-17-8-9-18(28-2)20-16-11-15(19(17)20)21-22(16)24(30-4)14-10-12(25(26)31-5)6-7-13(14)23(21)29-3/h6-10,15-16H,11H2,1-5H3
InChIKeyVYROBQUKYQCWBS-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.64
Rot. Bonds5

About methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate

methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate (PubChem CID 14409660) has the molecular formula C25H24O6 and a molecular weight of 420.46 g/mol. Its IUPAC name is methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate.

Molecular Properties

Compound Namemethyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate
PubChem CID14409660
Molecular FormulaC25H24O6
Molecular Weight420.46 g/mol
Exact Mass420.16
IUPAC Namemethyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate
SMILESCOC(=O)c1ccc2c(OC)c3c(c(OC)c2c1)C1CC3c2c(OC)ccc(OC)c21
InChIInChI=1S/C25H24O6/c1-27-17-8-9-18(28-2)20-16-11-15(19(17)20)21-22(16)24(30-4)14-10-12(25(26)31-5)6-7-13(14)23(21)29-3/h6-10,15-16H,11H2,1-5H3
InChIKeyVYROBQUKYQCWBS-UHFFFAOYSA-N
XLogP4.64
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate?
The IUPAC name of methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate (CID 14409660) is methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate.
What is the SMILES notation for methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate?
The canonical SMILES for methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate is COC(=O)c1ccc2c(OC)c3c(c(OC)c2c1)C1CC3c2c(OC)ccc(OC)c21.
What is the InChIKey of methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate?
The InChIKey is VYROBQUKYQCWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O6/c1-27-17-8-9-18(28-2)20-16-11-15(19(17)20)21-22(16)24(30-4)14-10-12(25(26)31-5)6-7-13(14)23(21)29-3/h6-10,15-16H,11H2,1-5H3.
What are the key properties of methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate?
methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate has a molecular weight of 420.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,10,14,17-tetramethoxypentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-2,4(9),5,7,10,13,15,17-octaene-6-carboxylate is sourced from PubChem (CID 14409660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).