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

C15H26O2 — CID 11694375

IUPAC4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H26O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h11-14H,2-10H2,1H3,(H,16,17)
InChIKeyOQIHEFMTIUJJET-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.09
Rot. Bonds3

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

4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid (PubChem CID 11694375) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid
PubChem CID11694375
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H26O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h11-14H,2-10H2,1H3,(H,16,17)
InChIKeyOQIHEFMTIUJJET-UHFFFAOYSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid (CID 11694375) is 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid is CCC1CCC(C2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid?
The InChIKey is OQIHEFMTIUJJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h11-14H,2-10H2,1H3,(H,16,17).
What are the key properties of 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid?
4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid has a molecular weight of 238.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 11694375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).