methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate

C17H24O3 — CID 10492730

IUPACmethyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate
SMILESC=C(C)[C@H](COCc1ccccc1)[C@@H](CC)C(=O)OC
InChIInChI=1S/C17H24O3/c1-5-15(17(18)19-4)16(13(2)3)12-20-11-14-9-7-6-8-10-14/h6-10,15-16H,2,5,11-12H2,1,3-4H3/t15-,16+/m1/s1
InChIKeyKOLKZZJRSSGEPX-CVEARBPZSA-N
MW276.38 g/mol
LogP3.59
Rot. Bonds8

About methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate

methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate (PubChem CID 10492730) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate
PubChem CID10492730
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Namemethyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate
SMILESC=C(C)[C@H](COCc1ccccc1)[C@@H](CC)C(=O)OC
InChIInChI=1S/C17H24O3/c1-5-15(17(18)19-4)16(13(2)3)12-20-11-14-9-7-6-8-10-14/h6-10,15-16H,2,5,11-12H2,1,3-4H3/t15-,16+/m1/s1
InChIKeyKOLKZZJRSSGEPX-CVEARBPZSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-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

methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate
CID 134539051
methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
CID 11459047
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
methyl (2S)-2-[(1S,2S)-1-hydroxy-2-methyl-3-phenylmethoxypropyl]pent-4-enoate
CID 11323799
methyl (2S)-2-(dibenzylamino)-3-phenylmethoxypropanoate
CID 15549566
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
(2S,3R,4R)-3,5-dimethyl-1-phenylmethoxyhex-5-ene-2,4-diol
CID 13181765
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate
CID 89365445
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate?
The IUPAC name of methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate (CID 10492730) is methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate.
What is the SMILES notation for methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate?
The canonical SMILES for methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate is C=C(C)[C@H](COCc1ccccc1)[C@@H](CC)C(=O)OC.
What is the InChIKey of methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate?
The InChIKey is KOLKZZJRSSGEPX-CVEARBPZSA-N. The full InChI is InChI=1S/C17H24O3/c1-5-15(17(18)19-4)16(13(2)3)12-20-11-14-9-7-6-8-10-14/h6-10,15-16H,2,5,11-12H2,1,3-4H3/t15-,16+/m1/s1.
What are the key properties of methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate?
methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate has a molecular weight of 276.38 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate is sourced from PubChem (CID 10492730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).