ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate

C18H24O4 — CID 69201738

IUPACethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCCC1OC(C)=O
InChIInChI=1S/C18H24O4/c1-3-21-17(20)18(12-7-10-16(18)22-14(2)19)13-11-15-8-5-4-6-9-15/h4-6,8-9,16H,3,7,10-13H2,1-2H3
InChIKeyWJFATPUJPQKQOS-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.28
Rot. Bonds6

About ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate

ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate (PubChem CID 69201738) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate
PubChem CID69201738
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Nameethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCCC1OC(C)=O
InChIInChI=1S/C18H24O4/c1-3-21-17(20)18(12-7-10-16(18)22-14(2)19)13-11-15-8-5-4-6-9-15/h4-6,8-9,16H,3,7,10-13H2,1-2H3
InChIKeyWJFATPUJPQKQOS-UHFFFAOYSA-N
XLogP3.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate
CID 69199999
[2-ethoxycarbonyl-2-(2-methylpropyl)cyclopentyl] benzoate
CID 69201228
2-methylpropyl 2-phenylmethoxy-1-propylcyclopentane-1-carboxylate
CID 141100848
ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate
CID 26333828
ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate
CID 70449516
ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate
CID 141100854
ethyl 3-acetyloxy-1-benzyl-2-oxocyclopentane-1-carboxylate
CID 10402769
trans-ethyl (1S,2R)-2-acetyloxy-1-hydroxycyclohexane-1-carboxylate
CID 167134264
ethyl 5,5-diphenyl-2-(2-phenylethyl)-1,3-dioxane-2-carboxylate
CID 141017427
(2-benzyl-2-methoxycarbonylcyclopentyl) 4-methylbenzoate
CID 69199533
benzyl 2-[(1S,2S)-2-acetyloxy-1-hydroxycyclohexyl]acetate
CID 24879603
trans-ethyl (1S,2S)-2-hydroxy-1-[(E)-6-phenylmethoxyhex-4-enyl]cyclopentane-1-carboxylate
CID 102017219

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate (CID 69201738) is ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate is CCOC(=O)C1(CCc2ccccc2)CCCC1OC(C)=O.
What is the InChIKey of ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate?
The InChIKey is WJFATPUJPQKQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-3-21-17(20)18(12-7-10-16(18)22-14(2)19)13-11-15-8-5-4-6-9-15/h4-6,8-9,16H,3,7,10-13H2,1-2H3.
What are the key properties of ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate?
ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 69201738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).