3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

C37H48O6 — CID 15894171

IUPAC3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2CCCC1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C37H48O6/c1-34(2)12-22(38)30-20(31-23(39)13-35(3,4)17-27(31)42-26(30)16-34)10-9-11-21-32-24(40)14-36(5,6)18-28(32)43-29-19-37(7,8)15-25(41)33(21)29/h20-21H,9-19H2,1-8H3
InChIKeyRYQYSYMCWPVANU-UHFFFAOYSA-N
MW588.79 g/mol
LogP8.02
Rot. Bonds4

About 3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione (PubChem CID 15894171) has the molecular formula C37H48O6 and a molecular weight of 588.79 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
PubChem CID15894171
Molecular FormulaC37H48O6
Molecular Weight588.79 g/mol
Exact Mass588.35
IUPAC Name3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2CCCC1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C37H48O6/c1-34(2)12-22(38)30-20(31-23(39)13-35(3,4)17-27(31)42-26(30)16-34)10-9-11-21-32-24(40)14-36(5,6)18-28(32)43-29-19-37(7,8)15-25(41)33(21)29/h20-21H,9-19H2,1-8H3
InChIKeyRYQYSYMCWPVANU-UHFFFAOYSA-N
XLogP8.02
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.79
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The IUPAC name of 3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione (CID 15894171) is 3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2CCCC1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of 3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The InChIKey is RYQYSYMCWPVANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48O6/c1-34(2)12-22(38)30-20(31-23(39)13-35(3,4)17-27(31)42-26(30)16-34)10-9-11-21-32-24(40)14-36(5,6)18-28(32)43-29-19-37(7,8)15-25(41)33(21)29/h20-21H,9-19H2,1-8H3.
What are the key properties of 3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione has a molecular weight of 588.79 g/mol, XLogP of 8.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-9-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)propyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is sourced from PubChem (CID 15894171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).