4-cyclohexylcyclohexane-1-carboxylic acid

C13H22O2 — CID 3062287

IUPAC4-cyclohexylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C13H22O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-12H,1-9H2,(H,14,15)
InChIKeyCPKFMLAOYBETEI-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.46
Rot. Bonds2

About 4-cyclohexylcyclohexane-1-carboxylic acid

4-cyclohexylcyclohexane-1-carboxylic acid (PubChem CID 3062287) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-cyclohexylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexylcyclohexane-1-carboxylic acid
PubChem CID3062287
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-cyclohexylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C13H22O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-12H,1-9H2,(H,14,15)
InChIKeyCPKFMLAOYBETEI-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-Cyclohexanedicarboxylic acid
CID 14106
Cyclohexaneacetic acid
CID 21363
Cyclohexanepropanoic acid
CID 69702
4-Pentylcyclohexanecarboxylic Acid
CID 98882
4-Isopropylcyclohexanecarboxylic Acid
CID 81526
Cyclohexanebutanoic acid
CID 75200
Manganese(II) cyclohexanebutyrate
CID 54607730
Cyclohexanepentanoic acid
CID 94769
2-(Adamantan-2-yl)acetic acid
CID 870990
2-Adamantanecarboxylic acid
CID 303802
4-Tert-butylcyclohexane-1-carboxylic acid
CID 136759
Cyclohexylundecanoic acid
CID 192796

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-cyclohexylcyclohexane-1-carboxylic acid (CID 3062287) is 4-cyclohexylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-cyclohexylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-cyclohexylcyclohexane-1-carboxylic acid is O=C(O)C1CCC(C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexylcyclohexane-1-carboxylic acid?
The InChIKey is CPKFMLAOYBETEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-12H,1-9H2,(H,14,15).
What are the key properties of 4-cyclohexylcyclohexane-1-carboxylic acid?
4-cyclohexylcyclohexane-1-carboxylic acid has a molecular weight of 210.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 3062287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).