ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate

C20H36O3Si — CID 10991794

IUPACethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@]1(C)C[C@@H]1[C@H]1C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O3Si/c1-9-22-18(21)14(2)11-20(6)12-17(20)16-10-15(16)13-23-24(7,8)19(3,4)5/h11,15-17H,9-10,12-13H2,1-8H3/b14-11+/t15-,16+,17-,20+/m1/s1
InChIKeyLNQOJUARRXNGIS-MCZMSHFUSA-N
MW352.59 g/mol
LogP5.18
Rot. Bonds7

About ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate

ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate (PubChem CID 10991794) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate
PubChem CID10991794
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Nameethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@]1(C)C[C@@H]1[C@H]1C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O3Si/c1-9-22-18(21)14(2)11-20(6)12-17(20)16-10-15(16)13-23-24(7,8)19(3,4)5/h11,15-17H,9-10,12-13H2,1-8H3/b14-11+/t15-,16+,17-,20+/m1/s1
InChIKeyLNQOJUARRXNGIS-MCZMSHFUSA-N
XLogP5.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-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-[[(1S,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methoxy]-dimethylsilane
CID 102183768
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
CID 10422566
ethyl 2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutanecarbonyl]hydrazinyl]-2-oxoacetate
CID 140804609
ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate
CID 54522680
ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate
CID 100914432
ethyl 2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopentylidene]acetate
CID 67216895
ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate
CID 11580515
ethyl 3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 135028246
ethyl (E)-4-[(1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-3-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentyl]-2-methylbut-2-enoate
CID 10874244
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
ethyl 5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dienoate
CID 54468465
ethyl 2-methyl-3-(4-methyloxan-4-yl)prop-2-enoate
CID 76623261

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate?
The IUPAC name of ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate (CID 10991794) is ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate is CCOC(=O)/C(C)=C/[C@@]1(C)C[C@@H]1[C@H]1C[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate?
The InChIKey is LNQOJUARRXNGIS-MCZMSHFUSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-9-22-18(21)14(2)11-20(6)12-17(20)16-10-15(16)13-23-24(7,8)19(3,4)5/h11,15-17H,9-10,12-13H2,1-8H3/b14-11+/t15-,16+,17-,20+/m1/s1.
What are the key properties of ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate?
ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate has a molecular weight of 352.59 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate is sourced from PubChem (CID 10991794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).