1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione

C18H18O6 — CID 102410551

IUPAC1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione
SMILESCc1cc2c(c(=O)o1)C1(C)Oc3cc(C)oc(=O)c3C(C)(O2)C1C
InChIInChI=1S/C18H18O6/c1-8-6-11-13(15(19)21-8)17(4)10(3)18(5,23-11)14-12(24-17)7-9(2)22-16(14)20/h6-7,10H,1-5H3
InChIKeyMEKIEFWYZSLGLS-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.76
Rot. Bonds

About 1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione

1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione (PubChem CID 102410551) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione.

Molecular Properties

Compound Name1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione
PubChem CID102410551
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Name1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione
SMILESCc1cc2c(c(=O)o1)C1(C)Oc3cc(C)oc(=O)c3C(C)(O2)C1C
InChIInChI=1S/C18H18O6/c1-8-6-11-13(15(19)21-8)17(4)10(3)18(5,23-11)14-12(24-17)7-9(2)22-16(14)20/h6-7,10H,1-5H3
InChIKeyMEKIEFWYZSLGLS-UHFFFAOYSA-N
XLogP2.76
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione 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 1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione?
The IUPAC name of 1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione (CID 102410551) is 1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione.
What is the SMILES notation for 1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione?
The canonical SMILES for 1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione is Cc1cc2c(c(=O)o1)C1(C)Oc3cc(C)oc(=O)c3C(C)(O2)C1C.
What is the InChIKey of 1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione?
The InChIKey is MEKIEFWYZSLGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-8-6-11-13(15(19)21-8)17(4)10(3)18(5,23-11)14-12(24-17)7-9(2)22-16(14)20/h6-7,10H,1-5H3.
What are the key properties of 1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione?
1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione has a molecular weight of 330.34 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9,13,17-pentamethyl-4,8,12,16-tetraoxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),5,10(15),13-tetraene-3,11-dione is sourced from PubChem (CID 102410551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).