methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate

C18H34O6Si — CID 5366515

IUPACmethyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate
SMILESCOC(=O)/C=C/C1OC(C)(C)OC1CC(C)OCOCC[Si](C)(C)C
InChIInChI=1S/C18H34O6Si/c1-14(22-13-21-10-11-25(5,6)7)12-16-15(8-9-17(19)20-4)23-18(2,3)24-16/h8-9,14-16H,10-13H2,1-7H3/b9-8+
InChIKeyQOQDMLUGUHXQKJ-CMDGGOBGSA-N
MW374.55 g/mol
LogP3.34
Rot. Bonds10

About methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate

methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate (PubChem CID 5366515) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate
PubChem CID5366515
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Namemethyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate
SMILESCOC(=O)/C=C/C1OC(C)(C)OC1CC(C)OCOCC[Si](C)(C)C
InChIInChI=1S/C18H34O6Si/c1-14(22-13-21-10-11-25(5,6)7)12-16-15(8-9-17(19)20-4)23-18(2,3)24-16/h8-9,14-16H,10-13H2,1-7H3/b9-8+
InChIKeyQOQDMLUGUHXQKJ-CMDGGOBGSA-N
XLogP3.34
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-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

ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11416659
methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate
CID 11624652
ethyl (E)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11727653
(13Z)-7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradec-13-en-12-one
CID 11760087
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 13006406
(1R,3R,6E,9R,12E,14R)-3,9,16,16-tetramethyl-4,10,15,17-tetraoxabicyclo[12.3.0]heptadeca-6,12-diene-5,11-dione
CID 13858773
ethyl (E)-3-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 44516071
ethyl (2E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5S)-5-but-3-ynyl-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,8-dienoate
CID 46184746
ethyl (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218226
ethyl (E,5S,7R)-7-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218228
1-[2-(Tert-butyldimethylsilanyloxy)ethyl]-2-(2-methoxyethoxymethoxy)but-3-enylester
CID 46894691
[(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate
CID 53362387

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate (CID 5366515) is methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate is COC(=O)/C=C/C1OC(C)(C)OC1CC(C)OCOCC[Si](C)(C)C.
What is the InChIKey of methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate?
The InChIKey is QOQDMLUGUHXQKJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H34O6Si/c1-14(22-13-21-10-11-25(5,6)7)12-16-15(8-9-17(19)20-4)23-18(2,3)24-16/h8-9,14-16H,10-13H2,1-7H3/b9-8+.
What are the key properties of methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate?
methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate has a molecular weight of 374.55 g/mol, XLogP of 3.34, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoate is sourced from PubChem (CID 5366515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).