cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid

C15H26O4 — CID 66625513

IUPACcyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)CC1.O=C(O)C1CCCCC1
InChIInChI=1S/C8H14O2.C7H12O2/c1-6-2-4-7(5-3-6)8(9)10;8-7(9)6-4-2-1-3-5-6/h6-7H,2-5H2,1H3,(H,9,10);6H,1-5H2,(H,8,9)
InChIKeyMECYSTSRIFCDHS-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.55
Rot. Bonds2

About cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid

cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid (PubChem CID 66625513) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid
PubChem CID66625513
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namecyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)CC1.O=C(O)C1CCCCC1
InChIInChI=1S/C8H14O2.C7H12O2/c1-6-2-4-7(5-3-6)8(9)10;8-7(9)6-4-2-1-3-5-6/h6-7H,2-5H2,1H3,(H,9,10);6H,1-5H2,(H,8,9)
InChIKeyMECYSTSRIFCDHS-UHFFFAOYSA-N
XLogP3.55
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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cyclohexanecarboxylic acid;trihydrochloride
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CID 53471629
cyclopentanecarboxylic acid
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ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 145196204
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CID 173424430

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid (CID 66625513) is cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)CC1.O=C(O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid?
The InChIKey is MECYSTSRIFCDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C7H12O2/c1-6-2-4-7(5-3-6)8(9)10;8-7(9)6-4-2-1-3-5-6/h6-7H,2-5H2,1H3,(H,9,10);6H,1-5H2,(H,8,9).
What are the key properties of cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid?
cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 66625513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).