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

C10H18O3 — CID 13299649

IUPACethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
SMILESC=CC[C@@](C)(C(=O)OCC)[C@H](C)O
InChIInChI=1S/C10H18O3/c1-5-7-10(4,8(3)11)9(12)13-6-2/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1
InChIKeyIIVXWYRBUVMTMP-WCBMZHEXSA-N
MW186.25 g/mol
LogP1.51
Rot. Bonds5

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

ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate (PubChem CID 13299649) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
PubChem CID13299649
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
SMILESC=CC[C@@](C)(C(=O)OCC)[C@H](C)O
InChIInChI=1S/C10H18O3/c1-5-7-10(4,8(3)11)9(12)13-6-2/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1
InChIKeyIIVXWYRBUVMTMP-WCBMZHEXSA-N
XLogP1.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2R)-2-[(1S)-1-hydroxyethyl]-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

tert-butyl (R)-3-hydroxypent-4-enoate
CID 10975952
Tert-butyl 3-hydroxypent-4-enoate
CID 11769016
4-Pentenoic acid, 2-[(1S)-1-hydroxyethyl]-, ethyl ester, (2S)-
CID 10241258
Ethyl 2-[1-(3-hydroxypropoxy)ethyl]-4-pentenoate
CID 14915897
Methyl (2r,3s)-2,3-dimethyl-3-ethyl-2-(1(s)-hydroxyethyl)-4-pentenoate
CID 177255964
t-Butyl (3r)-3-hydroxyl-5-hexenoate
CID 11171417
4-Pentenoic acid, 3-hydroxy-2,2-dimethyl-, ethyl ester
CID 11321232
Ethyl 2-ethyl-3-hydroxypent-4-enoate
CID 18539688
Tert-butyl 3-hydroxy-2-methylpent-4-enoate
CID 23372215
2-Ethoxycarbonyl-2-ethylpent-4-enoic acid
CID 87995224
4-Pentenoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, [R-(R*,S*)]-
CID 581194
2-Methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pent-4-enoic acid
CID 88471288

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate?
The IUPAC name of ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate (CID 13299649) is ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate.
What is the SMILES notation for ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate?
The canonical SMILES for ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate is C=CC[C@@](C)(C(=O)OCC)[C@H](C)O.
What is the InChIKey of ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate?
The InChIKey is IIVXWYRBUVMTMP-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-7-10(4,8(3)11)9(12)13-6-2/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1.
What are the key properties of ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate?
ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate is sourced from PubChem (CID 13299649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).