tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate

C20H34O5 — CID 10594290

IUPACtert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CCOCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C20H34O5/c1-5-6-7-8-17-16(9-10-18(17)21)11-12-23-13-14-24-15-19(22)25-20(2,3)4/h6-7,16-17H,5,8-15H2,1-4H3/b7-6-/t16-,17-/m1/s1
InChIKeyFZOGMZLTMHTIRT-TZNMXKOXSA-N
MW354.49 g/mol
LogP3.70
Rot. Bonds11

About tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate

tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate (PubChem CID 10594290) has the molecular formula C20H34O5 and a molecular weight of 354.49 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate
PubChem CID10594290
Molecular FormulaC20H34O5
Molecular Weight354.49 g/mol
Exact Mass354.24
IUPAC Nametert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CCOCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C20H34O5/c1-5-6-7-8-17-16(9-10-18(17)21)11-12-23-13-14-24-15-19(22)25-20(2,3)4/h6-7,16-17H,5,8-15H2,1-4H3/b7-6-/t16-,17-/m1/s1
InChIKeyFZOGMZLTMHTIRT-TZNMXKOXSA-N
XLogP3.70
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate 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

2-(2-hydroxyethoxy)ethyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 44393610
ethyl 2-[4-[(1R)-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]butoxy]acetate
CID 90672546
2-[4-[(1R)-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]butoxy]acetic acid
CID 90672547
ethyl 2-fluoro-2-hydroxy-7-[(1R,2R)-2-octa-1,5-dienyl-5-oxocyclopentyl]heptanoate
CID 54059130
2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid
CID 54093746
ethyl 8-[(1R,2R)-2-[4-(fluoromethyl)-4-hydroxyoct-1-enyl]-5-oxocyclopentyl]-2-oxooctanoate
CID 57072275
methyl 2-acetyloxy-7-[(1R,2R,3R)-3-(fluoromethyl)-2-oct-1-enyl-5-oxocyclopentyl]heptanoate
CID 68146784
methyl (Z)-2-acetyloxy-7-[(1R,2R,3R)-3-(fluoromethyl)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
CID 68146795
methyl (Z,2S,4S)-2-acetyloxy-4-methyl-2-[(1S)-1-methylcyclopent-2-en-1-yl]undec-6-enoate
CID 134973611
methyl (Z,2R,4S)-2-acetyloxy-4-methyl-2-[(1S)-1-methylcyclopent-2-en-1-yl]undec-6-enoate
CID 134973613
(1-Ethoxy-1-oxopropan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 13306382
(1-Oxo-1-propan-2-yloxypropan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 13306392

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate (CID 10594290) is tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate is CC/C=C\C[C@H]1C(=O)CC[C@@H]1CCOCCOCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate?
The InChIKey is FZOGMZLTMHTIRT-TZNMXKOXSA-N. The full InChI is InChI=1S/C20H34O5/c1-5-6-7-8-17-16(9-10-18(17)21)11-12-23-13-14-24-15-19(22)25-20(2,3)4/h6-7,16-17H,5,8-15H2,1-4H3/b7-6-/t16-,17-/m1/s1.
What are the key properties of tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate?
tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate has a molecular weight of 354.49 g/mol, XLogP of 3.70, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethoxy]ethoxy]acetate is sourced from PubChem (CID 10594290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).