ethyl 2-cyclopentylpropanoate

C10H18O2 — CID 10654733

IUPACethyl 2-cyclopentylpropanoate
SMILESCCOC(=O)C(C)C1CCCC1
InChIInChI=1S/C10H18O2/c1-3-12-10(11)8(2)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyLBKPYXYGEBHHMY-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.38
Rot. Bonds3

About ethyl 2-cyclopentylpropanoate

ethyl 2-cyclopentylpropanoate (PubChem CID 10654733) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethyl 2-cyclopentylpropanoate.

Molecular Properties

Compound Nameethyl 2-cyclopentylpropanoate
PubChem CID10654733
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethyl 2-cyclopentylpropanoate
SMILESCCOC(=O)C(C)C1CCCC1
InChIInChI=1S/C10H18O2/c1-3-12-10(11)8(2)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyLBKPYXYGEBHHMY-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate
CID 68576140
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
2-cyclohexylpropanoyl 2-cyclohexylpropanoate
CID 88630041
diethyl 2-[cyclopentyl(hydroxy)methyl]propanedioate
CID 55071984
ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81393902
ethyl (2R)-3-amino-2-cyclohexylpropanoate
CID 86315774
ethyl 2-cyclohexyl-4-hydroxypentanoate
CID 10466333
tert-butyl 2-cyclopentylpropanoate
CID 142496420
ethyl 4-chloro-4-cyclohexyl-2-methyl-3-oxobutanoate
CID 57041187
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917
diethyl 2-(5-cyclopentylhexyl)propanedioate
CID 70540896

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopentylpropanoate?
The IUPAC name of ethyl 2-cyclopentylpropanoate (CID 10654733) is ethyl 2-cyclopentylpropanoate.
What is the SMILES notation for ethyl 2-cyclopentylpropanoate?
The canonical SMILES for ethyl 2-cyclopentylpropanoate is CCOC(=O)C(C)C1CCCC1.
What is the InChIKey of ethyl 2-cyclopentylpropanoate?
The InChIKey is LBKPYXYGEBHHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-12-10(11)8(2)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-cyclopentylpropanoate?
ethyl 2-cyclopentylpropanoate has a molecular weight of 170.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopentylpropanoate is sourced from PubChem (CID 10654733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).