ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate

C13H22O4 — CID 58212173

IUPACethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate
SMILESCCOC(=O)CC[C@@H](OC(C)=O)C1CCCC1
InChIInChI=1S/C13H22O4/c1-3-16-13(15)9-8-12(17-10(2)14)11-6-4-5-7-11/h11-12H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyWBGJJKDSVPUBTQ-GFCCVEGCSA-N
MW242.31 g/mol
LogP2.45
Rot. Bonds6

About ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate

ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate (PubChem CID 58212173) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate.

Molecular Properties

Compound Nameethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate
PubChem CID58212173
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Nameethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate
SMILESCCOC(=O)CC[C@@H](OC(C)=O)C1CCCC1
InChIInChI=1S/C13H22O4/c1-3-16-13(15)9-8-12(17-10(2)14)11-6-4-5-7-11/h11-12H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyWBGJJKDSVPUBTQ-GFCCVEGCSA-N
XLogP2.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate
CID 162169396
4,4-dicyclopropylbutanoic acid;ethyl 4,4-dicyclopropylbutanoate
CID 158390010
1-cyclohexylbut-3-enyl acetate
CID 11481011
ethyl 4-chloro-4-(oxan-3-yl)butanoate
CID 103440101
ethyl 5-acetyloxyhexanoate
CID 529299
propyl 4-cyclopentyl-4-hydroxybutanoate
CID 62071388
diethyl 4-acetylheptanedioate
CID 15669145
ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate
CID 129054211
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661
ethyl 3-(cyclododecylamino)propanoate
CID 63476894
ethyl 2-(2-amino-2-cyclopentylethyl)sulfanylacetate
CID 104755112
1-cyclopentylethyl acetate
CID 12705472

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate?
The IUPAC name of ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate (CID 58212173) is ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate.
What is the SMILES notation for ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate?
The canonical SMILES for ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate is CCOC(=O)CC[C@@H](OC(C)=O)C1CCCC1.
What is the InChIKey of ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate?
The InChIKey is WBGJJKDSVPUBTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22O4/c1-3-16-13(15)9-8-12(17-10(2)14)11-6-4-5-7-11/h11-12H,3-9H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate?
ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate has a molecular weight of 242.31 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate is sourced from PubChem (CID 58212173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).