ethyl cyclohexanecarboxylate;hydrochloride

C9H17ClO2 — CID 68985516

IUPACethyl cyclohexanecarboxylate;hydrochloride
SMILESCCOC(=O)C1CCCCC1.Cl
InChIInChI=1S/C9H16O2.ClH/c1-2-11-9(10)8-6-4-3-5-7-8;/h8H,2-7H2,1H3;1H
InChIKeyKZUAOHVYYXHYCD-UHFFFAOYSA-N
MW192.69 g/mol
LogP2.55
Rot. Bonds2

About ethyl cyclohexanecarboxylate;hydrochloride

ethyl cyclohexanecarboxylate;hydrochloride (PubChem CID 68985516) has the molecular formula C9H17ClO2 and a molecular weight of 192.69 g/mol. Its IUPAC name is ethyl cyclohexanecarboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl cyclohexanecarboxylate;hydrochloride
PubChem CID68985516
Molecular FormulaC9H17ClO2
Molecular Weight192.69 g/mol
Exact Mass192.09
IUPAC Nameethyl cyclohexanecarboxylate;hydrochloride
SMILESCCOC(=O)C1CCCCC1.Cl
InChIInChI=1S/C9H16O2.ClH/c1-2-11-9(10)8-6-4-3-5-7-8;/h8H,2-7H2,1H3;1H
InChIKeyKZUAOHVYYXHYCD-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl cyclohexanecarboxylate;hydrochloride?
The IUPAC name of ethyl cyclohexanecarboxylate;hydrochloride (CID 68985516) is ethyl cyclohexanecarboxylate;hydrochloride.
What is the SMILES notation for ethyl cyclohexanecarboxylate;hydrochloride?
The canonical SMILES for ethyl cyclohexanecarboxylate;hydrochloride is CCOC(=O)C1CCCCC1.Cl.
What is the InChIKey of ethyl cyclohexanecarboxylate;hydrochloride?
The InChIKey is KZUAOHVYYXHYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.ClH/c1-2-11-9(10)8-6-4-3-5-7-8;/h8H,2-7H2,1H3;1H.
What are the key properties of ethyl cyclohexanecarboxylate;hydrochloride?
ethyl cyclohexanecarboxylate;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cyclohexanecarboxylate;hydrochloride is sourced from PubChem (CID 68985516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).