tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate

C18H29FO5 — CID 91592124

IUPACtert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate
SMILESCCOC(=O)C(F)=CCC[C@H]1COC(C)(C)C1C(=O)OC(C)(C)C
InChIInChI=1S/C18H29FO5/c1-7-22-15(20)13(19)10-8-9-12-11-23-18(5,6)14(12)16(21)24-17(2,3)4/h10,12,14H,7-9,11H2,1-6H3/t12-,14?/m0/s1
InChIKeyOQZLVWKGAGOSON-NBFOIZRFSA-N
MW344.42 g/mol
LogP3.57
Rot. Bonds6

About tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate

tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate (PubChem CID 91592124) has the molecular formula C18H29FO5 and a molecular weight of 344.42 g/mol. Its IUPAC name is tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate
PubChem CID91592124
Molecular FormulaC18H29FO5
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Nametert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate
SMILESCCOC(=O)C(F)=CCC[C@H]1COC(C)(C)C1C(=O)OC(C)(C)C
InChIInChI=1S/C18H29FO5/c1-7-22-15(20)13(19)10-8-9-12-11-23-18(5,6)14(12)16(21)24-17(2,3)4/h10,12,14H,7-9,11H2,1-6H3/t12-,14?/m0/s1
InChIKeyOQZLVWKGAGOSON-NBFOIZRFSA-N
XLogP3.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (4R)-4-[(Z)-5-ethoxy-4-fluoro-5-oxopent-3-enyl]-2,2-dimethyloxolane-3-carboxylate
CID 60100632
[(1R,2R,3R,6S,8E,11S)-3,8-dimethyl-4,13-dioxo-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-8,12(15)-dien-11-yl] acetate
CID 163022300
5-Methyl-5-[5-methyl-5-(2-methyl-5-oxooxolan-3-yl)-2-oxooxolan-3-yl]furan-2-one
CID 146262718
methyl (6E,10Z,13E)-3-(methoxymethyl)-6,14-dimethyl-2-oxo-3a,4,5,8,9,12,15,15a-octahydro-3H-cyclotetradeca[b]furan-10-carboxylate
CID 21773235
(3S,3aR,6E,10E,14E,15aR)-3-(methoxymethyl)-6,10,14-trimethyl-3,3a,4,5,8,12,13,15a-octahydrocyclotetradeca[b]furan-2,9-dione
CID 23258660
Methyl 2-[2-(3-acetyloxypropyl)-5-oxofuran-2-yl]acetate
CID 24978226
methyl 3-(methoxymethyl)-6,14-dimethyl-2-oxo-3a,4,5,8,9,12,15,15a-octahydro-3H-cyclotetradeca[b]furan-10-carboxylate
CID 73835677
dimethyl (E)-2-(2-methyloxolan-2-yl)but-2-enedioate
CID 121223232
dimethyl (Z)-2-(2-methyloxolan-2-yl)but-2-enedioate
CID 121223526
methyl (3R,3aR,6E,10Z,13E,15aS)-3-(methoxymethyl)-6,14-dimethyl-2-oxo-3a,4,5,8,9,12,15,15a-octahydro-3H-cyclotetradeca[b]furan-10-carboxylate
CID 162888562
(3,8-Dimethyl-4,13-dioxo-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-8,12(15)-dien-11-yl) acetate
CID 163022299

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate (CID 91592124) is tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate is CCOC(=O)C(F)=CCC[C@H]1COC(C)(C)C1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate?
The InChIKey is OQZLVWKGAGOSON-NBFOIZRFSA-N. The full InChI is InChI=1S/C18H29FO5/c1-7-22-15(20)13(19)10-8-9-12-11-23-18(5,6)14(12)16(21)24-17(2,3)4/h10,12,14H,7-9,11H2,1-6H3/t12-,14?/m0/s1.
What are the key properties of tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate?
tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-(5-ethoxy-4-fluoro-5-oxopent-3-enyl)-2,2-dimethyloxolane-3-carboxylate is sourced from PubChem (CID 91592124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).