cyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid

C14H10O18 — CID 101297863

IUPACcyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid
SMILESO=C(O)C1C(C(=O)O)(C(=O)O)C(C(=O)O)(C(=O)O)C(C(=O)O)(C(=O)O)C1(C(=O)O)C(=O)O
InChIInChI=1S/C14H10O18/c15-2(16)1-11(3(17)18,4(19)20)13(7(25)26,8(27)28)14(9(29)30,10(31)32)12(1,5(21)22)6(23)24/h1H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKeyPGJXBBSWWFVEAE-UHFFFAOYSA-N
MW466.22 g/mol
LogP-3.68
Rot. Bonds9

About cyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid

cyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid (PubChem CID 101297863) has the molecular formula C14H10O18 and a molecular weight of 466.22 g/mol. Its IUPAC name is cyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid.

Molecular Properties

Compound Namecyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid
PubChem CID101297863
Molecular FormulaC14H10O18
Molecular Weight466.22 g/mol
Exact Mass465.99
IUPAC Namecyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid
SMILESO=C(O)C1C(C(=O)O)(C(=O)O)C(C(=O)O)(C(=O)O)C(C(=O)O)(C(=O)O)C1(C(=O)O)C(=O)O
InChIInChI=1S/C14H10O18/c15-2(16)1-11(3(17)18,4(19)20)13(7(25)26,8(27)28)14(9(29)30,10(31)32)12(1,5(21)22)6(23)24/h1H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKeyPGJXBBSWWFVEAE-UHFFFAOYSA-N
XLogP-3.68
TPSA335.70 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.22
LogP ≤ 5-3.68
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
CID 20533205
4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961
tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid
CID 11074200
1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid
CID 142601138
2,2-difluorospiro[2.2]pentane-1-carboxylic acid
CID 136575763
7-aminodispiro[3.0.35.14]nonane-9-carboxylic acid
CID 155822111
2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 88725151
adamantane-1,2,2,3,4,4-hexacarboxylic acid
CID 66696492
1,2-dimethylcyclobutane-1,2,3,4-tetracarboxylic acid
CID 161314023
CID 101438824
CID 101438824
1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid
CID 70920488
4-(cyanomethyl)cyclohexane-1,1,2,2,3,3-hexacarboxylic acid
CID 151956486

Frequently Asked Questions

What is the IUPAC name of cyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid?
The IUPAC name of cyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid (CID 101297863) is cyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid.
What is the SMILES notation for cyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid?
The canonical SMILES for cyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid is O=C(O)C1C(C(=O)O)(C(=O)O)C(C(=O)O)(C(=O)O)C(C(=O)O)(C(=O)O)C1(C(=O)O)C(=O)O.
What is the InChIKey of cyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid?
The InChIKey is PGJXBBSWWFVEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O18/c15-2(16)1-11(3(17)18,4(19)20)13(7(25)26,8(27)28)14(9(29)30,10(31)32)12(1,5(21)22)6(23)24/h1H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32).
What are the key properties of cyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid?
cyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid has a molecular weight of 466.22 g/mol, XLogP of -3.68, 9 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid is sourced from PubChem (CID 101297863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).