4-ethylcyclohexane-1-carboxylic acid;hydrochloride

C9H17ClO2 — CID 67721587

IUPAC4-ethylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCCC1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C9H16O2.ClH/c1-2-7-3-5-8(6-4-7)9(10)11;/h7-8H,2-6H2,1H3,(H,10,11);1H
InChIKeyADUQRBPMSZYXOJ-UHFFFAOYSA-N
MW192.69 g/mol
LogP2.71
Rot. Bonds2

About 4-ethylcyclohexane-1-carboxylic acid;hydrochloride

4-ethylcyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 67721587) has the molecular formula C9H17ClO2 and a molecular weight of 192.69 g/mol. Its IUPAC name is 4-ethylcyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-ethylcyclohexane-1-carboxylic acid;hydrochloride
PubChem CID67721587
Molecular FormulaC9H17ClO2
Molecular Weight192.69 g/mol
Exact Mass192.09
IUPAC Name4-ethylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCCC1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C9H16O2.ClH/c1-2-7-3-5-8(6-4-7)9(10)11;/h7-8H,2-6H2,1H3,(H,10,11);1H
InChIKeyADUQRBPMSZYXOJ-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-ethylcyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-ethylcyclohexane-1-carboxylic acid;hydrochloride (CID 67721587) is 4-ethylcyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-ethylcyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-ethylcyclohexane-1-carboxylic acid;hydrochloride is CCC1CCC(C(=O)O)CC1.Cl.
What is the InChIKey of 4-ethylcyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is ADUQRBPMSZYXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.ClH/c1-2-7-3-5-8(6-4-7)9(10)11;/h7-8H,2-6H2,1H3,(H,10,11);1H.
What are the key properties of 4-ethylcyclohexane-1-carboxylic acid;hydrochloride?
4-ethylcyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylcyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 67721587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).