methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride

C10H19ClO2 — CID 163685796

IUPACmethyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
SMILESCCC1CCC(C(=O)OC)CC1.Cl
InChIInChI=1S/C10H18O2.ClH/c1-3-8-4-6-9(7-5-8)10(11)12-2;/h8-9H,3-7H2,1-2H3;1H
InChIKeyJOTOJUAWIAGQJY-UHFFFAOYSA-N
MW206.71 g/mol
LogP2.80
Rot. Bonds2

About methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride

methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride (PubChem CID 163685796) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
PubChem CID163685796
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Namemethyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
SMILESCCC1CCC(C(=O)OC)CC1.Cl
InChIInChI=1S/C10H18O2.ClH/c1-3-8-4-6-9(7-5-8)10(11)12-2;/h8-9H,3-7H2,1-2H3;1H
InChIKeyJOTOJUAWIAGQJY-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474
methyl 4-[2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 70376540
methyl 4-(bromomethyl)cyclohexane-1-carboxylate
CID 19688454
methyl 4-(chlorosulfonylmethyl)cyclohexane-1-carboxylate
CID 137393791
methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-(ethylaminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 158090259
[4-(ethylsulfonylmethyl)cyclohexyl]methanol;methane;methyl 4-(ethylsulfonylmethyl)cyclohexane-1-carboxylate
CID 167579871
methyl 4-(nitrosomethyl)cyclohexane-1-carboxylate
CID 123916725
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
dimethyl 4-ethylcyclohexane-1,2-dicarboxylate
CID 123726982
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate
CID 70500440
methyl 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate;hydrochloride
CID 175944864

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride (CID 163685796) is methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride is CCC1CCC(C(=O)OC)CC1.Cl.
What is the InChIKey of methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride?
The InChIKey is JOTOJUAWIAGQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.ClH/c1-3-8-4-6-9(7-5-8)10(11)12-2;/h8-9H,3-7H2,1-2H3;1H.
What are the key properties of methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride?
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride has a molecular weight of 206.71 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 163685796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).