1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid

C25H44O2 — CID 18607602

IUPAC1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCCCC1(C2CCCCC2)CCC(CCC)(C2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C25H44O2/c1-3-13-23(21-11-7-5-8-12-21)17-19-24(14-4-2,20-18-23)25(22(26)27)15-9-6-10-16-25/h21H,3-20H2,1-2H3,(H,26,27)
InChIKeyDZYPSFSOUJXWSE-UHFFFAOYSA-N
MW376.63 g/mol
LogP7.75
Rot. Bonds7

About 1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid

1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid (PubChem CID 18607602) has the molecular formula C25H44O2 and a molecular weight of 376.63 g/mol. Its IUPAC name is 1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid
PubChem CID18607602
Molecular FormulaC25H44O2
Molecular Weight376.63 g/mol
Exact Mass376.33
IUPAC Name1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCCCC1(C2CCCCC2)CCC(CCC)(C2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C25H44O2/c1-3-13-23(21-11-7-5-8-12-21)17-19-24(14-4-2,20-18-23)25(22(26)27)15-9-6-10-16-25/h21H,3-20H2,1-2H3,(H,26,27)
InChIKeyDZYPSFSOUJXWSE-UHFFFAOYSA-N
XLogP7.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butyl-4-cyclohexyl-1-heptylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607516
1-(4-cyclohexyl-1-decyl-4-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607559
4-chloro-1-cyclohexyl-1-propylcyclohexane
CID 66776581
1-butyl-1-cycloheptylcycloheptane
CID 140610618
1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide
CID 18607603
2-(1-cyclohexylcyclohexyl)ethanol
CID 174399046
1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane
CID 90741869
1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid
CID 19981685
N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine
CID 82933014
1-butyl-1-cyclohexyl-4-methylcyclohexane
CID 139676896
4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane
CID 173329798
1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride
CID 67411505

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid (CID 18607602) is 1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid is CCCC1(C2CCCCC2)CCC(CCC)(C2(C(=O)O)CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid?
The InChIKey is DZYPSFSOUJXWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O2/c1-3-13-23(21-11-7-5-8-12-21)17-19-24(14-4-2,20-18-23)25(22(26)27)15-9-6-10-16-25/h21H,3-20H2,1-2H3,(H,26,27).
What are the key properties of 1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid?
1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid has a molecular weight of 376.63 g/mol, XLogP of 7.75, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 18607602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).