3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione

C20H16O3 — CID 13130307

IUPAC3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione
SMILESCC1(C)CC(=O)c2cc3c(cc2C1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C20H16O3/c1-20(2)9-11-7-15-16(8-14(11)17(21)10-20)19(23)13-6-4-3-5-12(13)18(15)22/h3-8H,9-10H2,1-2H3
InChIKeyYOLTVLQCAHILAQ-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.62
Rot. Bonds

About 3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione

3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione (PubChem CID 13130307) has the molecular formula C20H16O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione
PubChem CID13130307
Molecular FormulaC20H16O3
Molecular Weight304.34 g/mol
Exact Mass304.11
IUPAC Name3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione
SMILESCC1(C)CC(=O)c2cc3c(cc2C1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C20H16O3/c1-20(2)9-11-7-15-16(8-14(11)17(21)10-20)19(23)13-6-4-3-5-12(13)18(15)22/h3-8H,9-10H2,1-2H3
InChIKeyYOLTVLQCAHILAQ-UHFFFAOYSA-N
XLogP3.62
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione?
The IUPAC name of 3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione (CID 13130307) is 3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione.
What is the SMILES notation for 3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione?
The canonical SMILES for 3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione is CC1(C)CC(=O)c2cc3c(cc2C1)C(=O)c1ccccc1C3=O.
What is the InChIKey of 3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione?
The InChIKey is YOLTVLQCAHILAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-20(2)9-11-7-15-16(8-14(11)17(21)10-20)19(23)13-6-4-3-5-12(13)18(15)22/h3-8H,9-10H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione?
3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione has a molecular weight of 304.34 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione is sourced from PubChem (CID 13130307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).