ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate

C11H20O3 — CID 101058403

IUPACethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate
SMILESC=CC[C@](C)(C(=O)OCC)[C@H](C)OC
InChIInChI=1S/C11H20O3/c1-6-8-11(4,9(3)13-5)10(12)14-7-2/h6,9H,1,7-8H2,2-5H3/t9-,11-/m0/s1
InChIKeyPMGOKEBQFRMDJJ-ONGXEEELSA-N
MW200.28 g/mol
LogP2.17
Rot. Bonds6

About ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate

ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate (PubChem CID 101058403) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate
PubChem CID101058403
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate
SMILESC=CC[C@](C)(C(=O)OCC)[C@H](C)OC
InChIInChI=1S/C11H20O3/c1-6-8-11(4,9(3)13-5)10(12)14-7-2/h6,9H,1,7-8H2,2-5H3/t9-,11-/m0/s1
InChIKeyPMGOKEBQFRMDJJ-ONGXEEELSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-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 (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299649
ethyl (2S)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299650
ethyl (2S)-2-[(1R)-1-hydroxypropyl]-2-methylpent-4-enoate
CID 58226973
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394
ethyl (2S)-2-acetyl-2-methylpent-4-enoate
CID 10943138
ethyl 2-acetyl-2-methylpent-4-enoate
CID 10910217
ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate
CID 79616726
2-ethoxycarbonyl-2-(2-methylpropyl)pent-4-enoic acid
CID 103973920
ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate
CID 10893618
methyl (2S)-2-amino-2-methylpent-4-enoate
CID 10261200
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
diethyl 2-(1-cyanopropyl)-2-prop-2-enylpropanedioate
CID 102102771

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate?
The IUPAC name of ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate (CID 101058403) is ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate.
What is the SMILES notation for ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate?
The canonical SMILES for ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate is C=CC[C@](C)(C(=O)OCC)[C@H](C)OC.
What is the InChIKey of ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate?
The InChIKey is PMGOKEBQFRMDJJ-ONGXEEELSA-N. The full InChI is InChI=1S/C11H20O3/c1-6-8-11(4,9(3)13-5)10(12)14-7-2/h6,9H,1,7-8H2,2-5H3/t9-,11-/m0/s1.
What are the key properties of ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate?
ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate is sourced from PubChem (CID 101058403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).