6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione

C21H26O5 — CID 70866389

IUPAC6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione
SMILESCCCC1CCC2=C3OC(C)CC(=O)C3=C3OC(=O)C=C(CC)C3C2O1
InChIInChI=1S/C21H26O5/c1-4-6-13-7-8-14-19(25-13)17-12(5-2)10-16(23)26-21(17)18-15(22)9-11(3)24-20(14)18/h10-11,13,17,19H,4-9H2,1-3H3
InChIKeyWKTRQGUXKTWTRM-UHFFFAOYSA-N
MW358.43 g/mol
LogP3.74
Rot. Bonds3

About 6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione

6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione (PubChem CID 70866389) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is 6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione.

Molecular Properties

Compound Name6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione
PubChem CID70866389
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Name6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione
SMILESCCCC1CCC2=C3OC(C)CC(=O)C3=C3OC(=O)C=C(CC)C3C2O1
InChIInChI=1S/C21H26O5/c1-4-6-13-7-8-14-19(25-13)17-12(5-2)10-16(23)26-21(17)18-15(22)9-11(3)24-20(14)18/h10-11,13,17,19H,4-9H2,1-3H3
InChIKeyWKTRQGUXKTWTRM-UHFFFAOYSA-N
XLogP3.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione?
The IUPAC name of 6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione (CID 70866389) is 6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione.
What is the SMILES notation for 6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione?
The canonical SMILES for 6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione is CCCC1CCC2=C3OC(C)CC(=O)C3=C3OC(=O)C=C(CC)C3C2O1.
What is the InChIKey of 6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione?
The InChIKey is WKTRQGUXKTWTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O5/c1-4-6-13-7-8-14-19(25-13)17-12(5-2)10-16(23)26-21(17)18-15(22)9-11(3)24-20(14)18/h10-11,13,17,19H,4-9H2,1-3H3.
What are the key properties of 6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione?
6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione has a molecular weight of 358.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione is sourced from PubChem (CID 70866389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).