ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate

C19H28O3 — CID 101053683

IUPACethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate
SMILESC=CC[C@@](CCC)(C[C@@H](OC)c1ccccc1)C(=O)OCC
InChIInChI=1S/C19H28O3/c1-5-13-19(14-6-2,18(20)22-7-3)15-17(21-4)16-11-9-8-10-12-16/h5,8-12,17H,1,6-7,13-15H2,2-4H3/t17-,19-/m1/s1
InChIKeyGTSFKTQVDYWTCS-IEBWSBKVSA-N
MW304.43 g/mol
LogP4.69
Rot. Bonds10

About ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate

ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate (PubChem CID 101053683) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate
PubChem CID101053683
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Nameethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate
SMILESC=CC[C@@](CCC)(C[C@@H](OC)c1ccccc1)C(=O)OCC
InChIInChI=1S/C19H28O3/c1-5-13-19(14-6-2,18(20)22-7-3)15-17(21-4)16-11-9-8-10-12-16/h5,8-12,17H,1,6-7,13-15H2,2-4H3/t17-,19-/m1/s1
InChIKeyGTSFKTQVDYWTCS-IEBWSBKVSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate 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

ethyl (2S,4S)-4-(methoxymethoxy)-5-methyl-2-prop-2-enyl-2-propylhexanoate
CID 101053676
ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate
CID 14120230
ethyl 2-chloro-3-hydroxy-3-phenylhex-5-enoate
CID 10778350
diethyl 2-(2-phenylhex-5-en-3-yl)propanedioate
CID 15921970
ethyl 2-phenylselanyl-2-propan-2-ylpent-4-enoate
CID 12012726
ethyl 2-hydroxy-2-methyl-3-phenylpent-4-enoate
CID 11107268
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 3-phenylhex-5-enoate
CID 11481375
diethyl 2-(2-phenylbut-3-enyl)propanedioate
CID 102386384
ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate
CID 83051907
ethyl 2-ethyl-2-phenylselanylpent-4-enoate
CID 12012723
ethyl 5-methoxy-2-nitroso-5-phenylpentanoate
CID 54367486

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate?
The IUPAC name of ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate (CID 101053683) is ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate.
What is the SMILES notation for ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate?
The canonical SMILES for ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate is C=CC[C@@](CCC)(C[C@@H](OC)c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate?
The InChIKey is GTSFKTQVDYWTCS-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H28O3/c1-5-13-19(14-6-2,18(20)22-7-3)15-17(21-4)16-11-9-8-10-12-16/h5,8-12,17H,1,6-7,13-15H2,2-4H3/t17-,19-/m1/s1.
What are the key properties of ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate?
ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate has a molecular weight of 304.43 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(2R)-2-methoxy-2-phenylethyl]-2-propylpent-4-enoate is sourced from PubChem (CID 101053683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).