1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid

C18H32O2 — CID 175103319

IUPAC1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)C(C1CCCCC1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C18H32O2/c1-17(2,3)15(14-10-6-4-7-11-14)18(16(19)20)12-8-5-9-13-18/h14-15H,4-13H2,1-3H3,(H,19,20)
InChIKeyOBUIJTHMIAPSNC-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.26
Rot. Bonds3

About 1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid

1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid (PubChem CID 175103319) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid
PubChem CID175103319
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)C(C1CCCCC1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C18H32O2/c1-17(2,3)15(14-10-6-4-7-11-14)18(16(19)20)12-8-5-9-13-18/h14-15H,4-13H2,1-3H3,(H,19,20)
InChIKeyOBUIJTHMIAPSNC-UHFFFAOYSA-N
XLogP5.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid (CID 175103319) is 1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid is CC(C)(C)C(C1CCCCC1)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid?
The InChIKey is OBUIJTHMIAPSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-17(2,3)15(14-10-6-4-7-11-14)18(16(19)20)12-8-5-9-13-18/h14-15H,4-13H2,1-3H3,(H,19,20).
What are the key properties of 1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid?
1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid has a molecular weight of 280.45 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 175103319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).