methyl 2-cyclopentylacetate;hydrochloride

C8H15ClO2 — CID 174509285

IUPACmethyl 2-cyclopentylacetate;hydrochloride
SMILESCOC(=O)CC1CCCC1.Cl
InChIInChI=1S/C8H14O2.ClH/c1-10-8(9)6-7-4-2-3-5-7;/h7H,2-6H2,1H3;1H
InChIKeyPTLZIHWTOAACEL-UHFFFAOYSA-N
MW178.66 g/mol
LogP2.16
Rot. Bonds2

About methyl 2-cyclopentylacetate;hydrochloride

methyl 2-cyclopentylacetate;hydrochloride (PubChem CID 174509285) has the molecular formula C8H15ClO2 and a molecular weight of 178.66 g/mol. Its IUPAC name is methyl 2-cyclopentylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-cyclopentylacetate;hydrochloride
PubChem CID174509285
Molecular FormulaC8H15ClO2
Molecular Weight178.66 g/mol
Exact Mass178.08
IUPAC Namemethyl 2-cyclopentylacetate;hydrochloride
SMILESCOC(=O)CC1CCCC1.Cl
InChIInChI=1S/C8H14O2.ClH/c1-10-8(9)6-7-4-2-3-5-7;/h7H,2-6H2,1H3;1H
InChIKeyPTLZIHWTOAACEL-UHFFFAOYSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-cyclopentylacetate;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

methyl 2-(4-tert-butylcyclohexyl)acetate;hydrochloride
CID 141145814
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
CID 12704967
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765
methyl 2-spiro[5.5]undecan-3-ylacetate
CID 118404685
methyl 2-(1-propan-2-ylazepan-4-yl)acetate
CID 174154196
prop-1-en-2-yl 2-cyclohexylacetate
CID 57350090
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-[(1S)-3-oxocyclohexyl]acetate
CID 10535152
methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate
CID 75434367
cyclopentyl 2-cyclohexylacetate;hydrochloride
CID 174567498

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentylacetate;hydrochloride?
The IUPAC name of methyl 2-cyclopentylacetate;hydrochloride (CID 174509285) is methyl 2-cyclopentylacetate;hydrochloride.
What is the SMILES notation for methyl 2-cyclopentylacetate;hydrochloride?
The canonical SMILES for methyl 2-cyclopentylacetate;hydrochloride is COC(=O)CC1CCCC1.Cl.
What is the InChIKey of methyl 2-cyclopentylacetate;hydrochloride?
The InChIKey is PTLZIHWTOAACEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.ClH/c1-10-8(9)6-7-4-2-3-5-7;/h7H,2-6H2,1H3;1H.
What are the key properties of methyl 2-cyclopentylacetate;hydrochloride?
methyl 2-cyclopentylacetate;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentylacetate;hydrochloride is sourced from PubChem (CID 174509285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).