5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid

C20H18O4 — CID 139940214

IUPAC5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid
SMILESO=C(O)c1cc2c(cc1C(=O)O)Cc1cc3c(cc1C2)CCCC3
InChIInChI=1S/C20H18O4/c21-19(22)17-9-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)10-18(17)20(23)24/h5-6,9-10H,1-4,7-8H2,(H,21,22)(H,23,24)
InChIKeyJLBAPWUJMMBHJS-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.46
Rot. Bonds2

About 5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid

5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid (PubChem CID 139940214) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid
PubChem CID139940214
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid
SMILESO=C(O)c1cc2c(cc1C(=O)O)Cc1cc3c(cc1C2)CCCC3
InChIInChI=1S/C20H18O4/c21-19(22)17-9-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)10-18(17)20(23)24/h5-6,9-10H,1-4,7-8H2,(H,21,22)(H,23,24)
InChIKeyJLBAPWUJMMBHJS-UHFFFAOYSA-N
XLogP3.46
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid?
The IUPAC name of 5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid (CID 139940214) is 5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid.
What is the SMILES notation for 5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid?
The canonical SMILES for 5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid is O=C(O)c1cc2c(cc1C(=O)O)Cc1cc3c(cc1C2)CCCC3.
What is the InChIKey of 5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid?
The InChIKey is JLBAPWUJMMBHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c21-19(22)17-9-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)10-18(17)20(23)24/h5-6,9-10H,1-4,7-8H2,(H,21,22)(H,23,24).
What are the key properties of 5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid?
5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid is sourced from PubChem (CID 139940214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).