ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate

C20H34O5Si — CID 134840176

IUPACethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate
SMILESC=C[C@]1(CO[Si](C)(C)C(C)(C)C)C[C@H](C(=O)OCC)C2(C=CCCO2)O1
InChIInChI=1S/C20H34O5Si/c1-8-19(15-24-26(6,7)18(3,4)5)14-16(17(21)22-9-2)20(25-19)12-10-11-13-23-20/h8,10,12,16H,1,9,11,13-15H2,2-7H3/t16-,19-,20?/m1/s1
InChIKeyTVPUVMSMKSBCMB-YPMWCJOZSA-N
MW382.57 g/mol
LogP4.21
Rot. Bonds6

About ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate

ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate (PubChem CID 134840176) has the molecular formula C20H34O5Si and a molecular weight of 382.57 g/mol. Its IUPAC name is ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate
PubChem CID134840176
Molecular FormulaC20H34O5Si
Molecular Weight382.57 g/mol
Exact Mass382.22
IUPAC Nameethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate
SMILESC=C[C@]1(CO[Si](C)(C)C(C)(C)C)C[C@H](C(=O)OCC)C2(C=CCCO2)O1
InChIInChI=1S/C20H34O5Si/c1-8-19(15-24-26(6,7)18(3,4)5)14-16(17(21)22-9-2)20(25-19)12-10-11-13-23-20/h8,10,12,16H,1,9,11,13-15H2,2-7H3/t16-,19-,20?/m1/s1
InChIKeyTVPUVMSMKSBCMB-YPMWCJOZSA-N
XLogP4.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate 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 (1S)-1-but-3-enoxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134840172
[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate
CID 134931717
methyl 5-[(4S,5R)-4-[(2S)-butan-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
CID 91222452
Ethyl 4-(diethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 122646769
Methyl 1-(dibutoxymethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134429213
2-Ethylbutyl 4-[bis(2-ethylbutoxy)methyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134429217
2-Ethylhexyl 1-[bis(2-ethylbutoxy)methyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134429223
Methyl 4-(dibutoxymethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134429226
2-Methylbutyl 4-[(2-ethyl-3-methylbutoxy)-(2-methoxybutoxy)methyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134437356
2-Methylbutyl 4-[bis(2-ethyl-3-methylbutoxy)methyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 139363273
[(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-yl] (1S,2R)-2-methoxycyclohex-3-ene-1-carboxylate
CID 10072878
[(3aS,4R,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-yl] acetate
CID 10784509

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate?
The IUPAC name of ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate (CID 134840176) is ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate.
What is the SMILES notation for ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate?
The canonical SMILES for ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate is C=C[C@]1(CO[Si](C)(C)C(C)(C)C)C[C@H](C(=O)OCC)C2(C=CCCO2)O1.
What is the InChIKey of ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate?
The InChIKey is TVPUVMSMKSBCMB-YPMWCJOZSA-N. The full InChI is InChI=1S/C20H34O5Si/c1-8-19(15-24-26(6,7)18(3,4)5)14-16(17(21)22-9-2)20(25-19)12-10-11-13-23-20/h8,10,12,16H,1,9,11,13-15H2,2-7H3/t16-,19-,20?/m1/s1.
What are the key properties of ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate?
ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate has a molecular weight of 382.57 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate is sourced from PubChem (CID 134840176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).