tetracene-1,6-dione

C18H10O2 — CID 87390098

IUPACtetracene-1,6-dione
SMILESO=C1C=CC=c2cc3c(cc21)=Cc1ccccc1C3=O
InChIInChI=1S/C18H10O2/c19-17-7-3-5-12-9-16-13(10-15(12)17)8-11-4-1-2-6-14(11)18(16)20/h1-10H
InChIKeyAXCDMADKFWOSPO-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.59
Rot. Bonds

About tetracene-1,6-dione

tetracene-1,6-dione (PubChem CID 87390098) has the molecular formula C18H10O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is tetracene-1,6-dione.

Molecular Properties

Compound Nametetracene-1,6-dione
PubChem CID87390098
Molecular FormulaC18H10O2
Molecular Weight258.28 g/mol
Exact Mass258.07
IUPAC Nametetracene-1,6-dione
SMILESO=C1C=CC=c2cc3c(cc21)=Cc1ccccc1C3=O
InChIInChI=1S/C18H10O2/c19-17-7-3-5-12-9-16-13(10-15(12)17)8-11-4-1-2-6-14(11)18(16)20/h1-10H
InChIKeyAXCDMADKFWOSPO-UHFFFAOYSA-N
XLogP1.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tetracene-1,6-dione?
The IUPAC name of tetracene-1,6-dione (CID 87390098) is tetracene-1,6-dione.
What is the SMILES notation for tetracene-1,6-dione?
The canonical SMILES for tetracene-1,6-dione is O=C1C=CC=c2cc3c(cc21)=Cc1ccccc1C3=O.
What is the InChIKey of tetracene-1,6-dione?
The InChIKey is AXCDMADKFWOSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O2/c19-17-7-3-5-12-9-16-13(10-15(12)17)8-11-4-1-2-6-14(11)18(16)20/h1-10H.
What are the key properties of tetracene-1,6-dione?
tetracene-1,6-dione has a molecular weight of 258.28 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracene-1,6-dione is sourced from PubChem (CID 87390098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).