cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid

C15H22O8 — CID 161475893

IUPACcyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
SMILESO=C(O)C1CCC(C(=O)O)C1.O=C(O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C8H12O4.C7H10O4/c9-7(10)5-1-2-6(4-3-5)8(11)12;8-6(9)4-1-2-5(3-4)7(10)11/h5-6H,1-4H2,(H,9,10)(H,11,12);4-5H,1-3H2,(H,8,9)(H,10,11)
InChIKeyWDRZLHGZLXPCIT-UHFFFAOYSA-N
MW330.33 g/mol
LogP1.53
Rot. Bonds4

About cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid

cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid (PubChem CID 161475893) has the molecular formula C15H22O8 and a molecular weight of 330.33 g/mol. Its IUPAC name is cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid.

Molecular Properties

Compound Namecyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
PubChem CID161475893
Molecular FormulaC15H22O8
Molecular Weight330.33 g/mol
Exact Mass330.13
IUPAC Namecyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
SMILESO=C(O)C1CCC(C(=O)O)C1.O=C(O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C8H12O4.C7H10O4/c9-7(10)5-1-2-6(4-3-5)8(11)12;8-6(9)4-1-2-5(3-4)7(10)11/h5-6H,1-4H2,(H,9,10)(H,11,12);4-5H,1-3H2,(H,8,9)(H,10,11)
InChIKeyWDRZLHGZLXPCIT-UHFFFAOYSA-N
XLogP1.53
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
CID 173230624
CID 173230624
3-(2-chloroacetyl)cyclopentane-1-carboxylic acid
CID 172968794
cyclohexane-1,4-dicarboxylic acid;formic acid
CID 157153528
cis-(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
CID 10888375
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
bicyclo[4.1.0]heptane-3-carboxylic acid
CID 13203182
cyclopentanecarboxylic acid
CID 18840
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid?
The IUPAC name of cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid (CID 161475893) is cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid.
What is the SMILES notation for cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid?
The canonical SMILES for cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid is O=C(O)C1CCC(C(=O)O)C1.O=C(O)C1CCC(C(=O)O)CC1.
What is the InChIKey of cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid?
The InChIKey is WDRZLHGZLXPCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4.C7H10O4/c9-7(10)5-1-2-6(4-3-5)8(11)12;8-6(9)4-1-2-5(3-4)7(10)11/h5-6H,1-4H2,(H,9,10)(H,11,12);4-5H,1-3H2,(H,8,9)(H,10,11).
What are the key properties of cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid?
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid has a molecular weight of 330.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid is sourced from PubChem (CID 161475893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).