cyclohexane-1,4-dicarboxylic acid;hydrobromide

C8H13BrO4 — CID 70215185

IUPACcyclohexane-1,4-dicarboxylic acid;hydrobromide
SMILESBr.O=C(O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C8H12O4.BrH/c9-7(10)5-1-2-6(4-3-5)8(11)12;/h5-6H,1-4H2,(H,9,10)(H,11,12);1H
InChIKeyWPRHOBZNRIEINP-UHFFFAOYSA-N
MW253.09 g/mol
LogP1.54
Rot. Bonds2

About cyclohexane-1,4-dicarboxylic acid;hydrobromide

cyclohexane-1,4-dicarboxylic acid;hydrobromide (PubChem CID 70215185) has the molecular formula C8H13BrO4 and a molecular weight of 253.09 g/mol. Its IUPAC name is cyclohexane-1,4-dicarboxylic acid;hydrobromide.

Molecular Properties

Compound Namecyclohexane-1,4-dicarboxylic acid;hydrobromide
PubChem CID70215185
Molecular FormulaC8H13BrO4
Molecular Weight253.09 g/mol
Exact Mass252.00
IUPAC Namecyclohexane-1,4-dicarboxylic acid;hydrobromide
SMILESBr.O=C(O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C8H12O4.BrH/c9-7(10)5-1-2-6(4-3-5)8(11)12;/h5-6H,1-4H2,(H,9,10)(H,11,12);1H
InChIKeyWPRHOBZNRIEINP-UHFFFAOYSA-N
XLogP1.54
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
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cyclohexane-1,4-dicarboxylic acid;formic acid
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cyclopentanecarboxylic acid
CID 18840
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CID 138481198
(4-carboxycyclohexyl)azanium
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cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-dicarboxylic acid;hydrobromide?
The IUPAC name of cyclohexane-1,4-dicarboxylic acid;hydrobromide (CID 70215185) is cyclohexane-1,4-dicarboxylic acid;hydrobromide.
What is the SMILES notation for cyclohexane-1,4-dicarboxylic acid;hydrobromide?
The canonical SMILES for cyclohexane-1,4-dicarboxylic acid;hydrobromide is Br.O=C(O)C1CCC(C(=O)O)CC1.
What is the InChIKey of cyclohexane-1,4-dicarboxylic acid;hydrobromide?
The InChIKey is WPRHOBZNRIEINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4.BrH/c9-7(10)5-1-2-6(4-3-5)8(11)12;/h5-6H,1-4H2,(H,9,10)(H,11,12);1H.
What are the key properties of cyclohexane-1,4-dicarboxylic acid;hydrobromide?
cyclohexane-1,4-dicarboxylic acid;hydrobromide has a molecular weight of 253.09 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-dicarboxylic acid;hydrobromide is sourced from PubChem (CID 70215185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).