cyclohexanecarboxylic acid;octahydrate

C7H28O10 — CID 175413747

IUPACcyclohexanecarboxylic acid;octahydrate
SMILESO.O.O.O.O.O.O.O.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.8H2O/c8-7(9)6-4-2-1-3-5-6;;;;;;;;/h6H,1-5H2,(H,8,9);8*1H2
InChIKeyCMDCOYXTXRKKED-UHFFFAOYSA-N
MW272.29 g/mol
LogP-4.95
Rot. Bonds1

About cyclohexanecarboxylic acid;octahydrate

cyclohexanecarboxylic acid;octahydrate (PubChem CID 175413747) has the molecular formula C7H28O10 and a molecular weight of 272.29 g/mol. Its IUPAC name is cyclohexanecarboxylic acid;octahydrate.

Molecular Properties

Compound Namecyclohexanecarboxylic acid;octahydrate
PubChem CID175413747
Molecular FormulaC7H28O10
Molecular Weight272.29 g/mol
Exact Mass272.17
IUPAC Namecyclohexanecarboxylic acid;octahydrate
SMILESO.O.O.O.O.O.O.O.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.8H2O/c8-7(9)6-4-2-1-3-5-6;;;;;;;;/h6H,1-5H2,(H,8,9);8*1H2
InChIKeyCMDCOYXTXRKKED-UHFFFAOYSA-N
XLogP-4.95
TPSA289.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-4.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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cyclooctadecane-1,7,13-tricarboxylic acid
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cyclohexanecarboxylic acid
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cycloheptanecarboxylic acid;indigane
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cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
CID 53471629
CID 53471629
cyclopentanecarboxylic acid
CID 18840
lithium;cyclooctanecarboxylic acid;hydride
CID 173424430
cyclopentanecarboxylic acid;indigane
CID 173230713
chloromethane;cyclohexanecarboxylic acid
CID 160928112
cyclohexanecarboxylic acid;diiminoazanium
CID 174800103
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid;octahydrate?
The IUPAC name of cyclohexanecarboxylic acid;octahydrate (CID 175413747) is cyclohexanecarboxylic acid;octahydrate.
What is the SMILES notation for cyclohexanecarboxylic acid;octahydrate?
The canonical SMILES for cyclohexanecarboxylic acid;octahydrate is O.O.O.O.O.O.O.O.O=C(O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxylic acid;octahydrate?
The InChIKey is CMDCOYXTXRKKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.8H2O/c8-7(9)6-4-2-1-3-5-6;;;;;;;;/h6H,1-5H2,(H,8,9);8*1H2.
What are the key properties of cyclohexanecarboxylic acid;octahydrate?
cyclohexanecarboxylic acid;octahydrate has a molecular weight of 272.29 g/mol, XLogP of -4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxylic acid;octahydrate is sourced from PubChem (CID 175413747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).