4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid

C16H28O2 — CID 793726

IUPAC4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)
InChIKeyJXPGQFKJNKWDKP-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.48
Rot. Bonds4

About 4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid

4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid (PubChem CID 793726) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid
PubChem CID793726
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)
InChIKeyJXPGQFKJNKWDKP-UHFFFAOYSA-N
XLogP4.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Pentylcyclohexanecarboxylic Acid
CID 98882
4-Isopropylcyclohexanecarboxylic Acid
CID 81526
Cyclohexanebutanoic acid
CID 75200
Cyclohexanepentanoic acid
CID 94769
2-Adamantanecarboxylic acid
CID 303802
4-Tert-butylcyclohexane-1-carboxylic acid
CID 136759
Cyclohexylundecanoic acid
CID 192796
Cyclohexanecarboxylic acid, 4-hexyl-
CID 98831
4-(Cyclohexylmethyl)cyclohexane-1-carboxylic acid
CID 299604
4-Butylcyclohexanecarboxylic Acid (cis-and trans-mixture)
CID 2060518
4-Methylcyclohexanecarboxylic acid
CID 20330
Bicyclo[2.2.2]octane-2-carboxylic acid
CID 268179

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid (CID 793726) is 4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid is CCCC1CCC(C2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid?
The InChIKey is JXPGQFKJNKWDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18).
What are the key properties of 4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid?
4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid has a molecular weight of 252.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 793726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).