11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid

C22H20O6 — CID 14381410

IUPAC11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid
SMILESO=C(O)C12C3C4C5C6C7C8C(C9C%10C8C6(O)C6(C(=O)O)C5C3C(C91)C%106)C2(O)C74
InChIInChI=1S/C22H20O6/c23-17(24)19-9-1-2-11(19)5-6-12(2)20(18(25)26)10(1)4-3(9)13-7-8(15(5)21(13,19)27)16(6)22(20,28)14(4)7/h1-16,27-28H,(H,23,24)(H,25,26)
InChIKeyRGEUKIZQBNCFEA-UHFFFAOYSA-N
MW380.40 g/mol
LogP-0.40
Rot. Bonds2

About 11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid

11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid (PubChem CID 14381410) has the molecular formula C22H20O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is 11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid.

Molecular Properties

Compound Name11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid
PubChem CID14381410
Molecular FormulaC22H20O6
Molecular Weight380.40 g/mol
Exact Mass380.13
IUPAC Name11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid
SMILESO=C(O)C12C3C4C5C6C7C8C(C9C%10C8C6(O)C6(C(=O)O)C5C3C(C91)C%106)C2(O)C74
InChIInChI=1S/C22H20O6/c23-17(24)19-9-1-2-11(19)5-6-12(2)20(18(25)26)10(1)4-3(9)13-7-8(15(5)21(13,19)27)16(6)22(20,28)14(4)7/h1-16,27-28H,(H,23,24)(H,25,26)
InChIKeyRGEUKIZQBNCFEA-UHFFFAOYSA-N
XLogP-0.40
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid with MolForge

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Related Compounds

cubane-1-carboxylic acid;hydrochloride
CID 70462969
cubane-1,2-dicarbonyl chloride
CID 15809000
9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol
CID 102093579
dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate
CID 14381409
4-bromo-2-methylcubane-1-carboxylic acid
CID 67061702
9-aminobicyclo[3.3.1]nonane-9-carboxylic acid
CID 4866632
1-[(1S,4R,5R,7R,8R,11S,12R,14R)-10-acetyl-6,13-dioxaheptacyclo[7.5.0.02,11.03,8.04,10.05,7.012,14]tetradecan-9-yl]ethanone
CID 98557283
2-hydroxyimidazole-2-carboxylic acid
CID 137357924
(2S,3R,6R,7R)-1-bromo-9,9-dihydroxypentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylic acid
CID 99723095
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961
1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid
CID 83905293

Frequently Asked Questions

What is the IUPAC name of 11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid?
The IUPAC name of 11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid (CID 14381410) is 11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid.
What is the SMILES notation for 11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid?
The canonical SMILES for 11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid is O=C(O)C12C3C4C5C6C7C8C(C9C%10C8C6(O)C6(C(=O)O)C5C3C(C91)C%106)C2(O)C74.
What is the InChIKey of 11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid?
The InChIKey is RGEUKIZQBNCFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O6/c23-17(24)19-9-1-2-11(19)5-6-12(2)20(18(25)26)10(1)4-3(9)13-7-8(15(5)21(13,19)27)16(6)22(20,28)14(4)7/h1-16,27-28H,(H,23,24)(H,25,26).
What are the key properties of 11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid?
11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid has a molecular weight of 380.40 g/mol, XLogP of -0.40, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,16-dihydroxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylic acid is sourced from PubChem (CID 14381410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).