propyl 3-cyclopentylpropanoate

C11H20O2 — CID 43389546

IUPACpropyl 3-cyclopentylpropanoate
SMILESCCCOC(=O)CCC1CCCC1
InChIInChI=1S/C11H20O2/c1-2-9-13-11(12)8-7-10-5-3-4-6-10/h10H,2-9H2,1H3
InChIKeyDONVPVJCEGSTHD-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds5

About propyl 3-cyclopentylpropanoate

propyl 3-cyclopentylpropanoate (PubChem CID 43389546) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is propyl 3-cyclopentylpropanoate.

Molecular Properties

Compound Namepropyl 3-cyclopentylpropanoate
PubChem CID43389546
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namepropyl 3-cyclopentylpropanoate
SMILESCCCOC(=O)CCC1CCCC1
InChIInChI=1S/C11H20O2/c1-2-9-13-11(12)8-7-10-5-3-4-6-10/h10H,2-9H2,1H3
InChIKeyDONVPVJCEGSTHD-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827
propyl 3-(4-ethylcyclohexyl)propanoate
CID 59863738
2-cyclopentylethyl butanoate
CID 142409115
butyl 4-cyclopentylbutanoate
CID 175866077
3-(butylamino)propyl 3-cyclohexylpropanoate
CID 82532321
4-cycloheptylbutyl butanoate
CID 54174835
2-(1-methoxyethoxy)ethyl 3-cyclopentylpropanoate
CID 20729083
2-aminoethyl 3-cyclopropylpropanoate
CID 174465831
bis(2-cyclopentylethyl) propanedioate
CID 67140627
2-ethylhexyl 3-cyclopentylpropanoate
CID 543877
prop-2-enyl 3-cyclohexylpropanoate;prop-2-enyl heptanoate
CID 157403985
2-phenylethyl 3-cyclopentylpropanoate
CID 568730

Frequently Asked Questions

What is the IUPAC name of propyl 3-cyclopentylpropanoate?
The IUPAC name of propyl 3-cyclopentylpropanoate (CID 43389546) is propyl 3-cyclopentylpropanoate.
What is the SMILES notation for propyl 3-cyclopentylpropanoate?
The canonical SMILES for propyl 3-cyclopentylpropanoate is CCCOC(=O)CCC1CCCC1.
What is the InChIKey of propyl 3-cyclopentylpropanoate?
The InChIKey is DONVPVJCEGSTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-9-13-11(12)8-7-10-5-3-4-6-10/h10H,2-9H2,1H3.
What are the key properties of propyl 3-cyclopentylpropanoate?
propyl 3-cyclopentylpropanoate has a molecular weight of 184.28 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-cyclopentylpropanoate is sourced from PubChem (CID 43389546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).