6,12-bis(triethylsilyloxy)tetracene-5,11-dione

C30H38O4Si2 — CID 71424831

IUPAC6,12-bis(triethylsilyloxy)tetracene-5,11-dione
SMILESCC[Si](CC)(CC)OC1=C2C(=O)c3ccccc3C(O[Si](CC)(CC)CC)=C2C(=O)c2ccccc21
InChIInChI=1S/C30H38O4Si2/c1-7-35(8-2,9-3)33-29-23-19-15-13-17-21(23)28(32)26-25(29)27(31)22-18-14-16-20-24(22)30(26)34-36(10-4,11-5)12-6/h13-20H,7-12H2,1-6H3
InChIKeyMSCRCFJZMXRBFJ-UHFFFAOYSA-N
MW518.80 g/mol
LogP8.25
Rot. Bonds10

About 6,12-bis(triethylsilyloxy)tetracene-5,11-dione

6,12-bis(triethylsilyloxy)tetracene-5,11-dione (PubChem CID 71424831) has the molecular formula C30H38O4Si2 and a molecular weight of 518.80 g/mol. Its IUPAC name is 6,12-bis(triethylsilyloxy)tetracene-5,11-dione.

Molecular Properties

Compound Name6,12-bis(triethylsilyloxy)tetracene-5,11-dione
PubChem CID71424831
Molecular FormulaC30H38O4Si2
Molecular Weight518.80 g/mol
Exact Mass518.23
IUPAC Name6,12-bis(triethylsilyloxy)tetracene-5,11-dione
SMILESCC[Si](CC)(CC)OC1=C2C(=O)c3ccccc3C(O[Si](CC)(CC)CC)=C2C(=O)c2ccccc21
InChIInChI=1S/C30H38O4Si2/c1-7-35(8-2,9-3)33-29-23-19-15-13-17-21(23)28(32)26-25(29)27(31)22-18-14-16-20-24(22)30(26)34-36(10-4,11-5)12-6/h13-20H,7-12H2,1-6H3
InChIKeyMSCRCFJZMXRBFJ-UHFFFAOYSA-N
XLogP8.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.80
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,12-bis(triethylsilyloxy)tetracene-5,11-dione?
The IUPAC name of 6,12-bis(triethylsilyloxy)tetracene-5,11-dione (CID 71424831) is 6,12-bis(triethylsilyloxy)tetracene-5,11-dione.
What is the SMILES notation for 6,12-bis(triethylsilyloxy)tetracene-5,11-dione?
The canonical SMILES for 6,12-bis(triethylsilyloxy)tetracene-5,11-dione is CC[Si](CC)(CC)OC1=C2C(=O)c3ccccc3C(O[Si](CC)(CC)CC)=C2C(=O)c2ccccc21.
What is the InChIKey of 6,12-bis(triethylsilyloxy)tetracene-5,11-dione?
The InChIKey is MSCRCFJZMXRBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O4Si2/c1-7-35(8-2,9-3)33-29-23-19-15-13-17-21(23)28(32)26-25(29)27(31)22-18-14-16-20-24(22)30(26)34-36(10-4,11-5)12-6/h13-20H,7-12H2,1-6H3.
What are the key properties of 6,12-bis(triethylsilyloxy)tetracene-5,11-dione?
6,12-bis(triethylsilyloxy)tetracene-5,11-dione has a molecular weight of 518.80 g/mol, XLogP of 8.25, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(triethylsilyloxy)tetracene-5,11-dione is sourced from PubChem (CID 71424831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).