dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate

C17H30O5Si — CID 134901574

IUPACdimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C17H30O5Si/c1-17(2,3)23(6,7)22-13-10-8-9-12(11-13)14(15(18)20-4)16(19)21-5/h11-12,14H,8-10H2,1-7H3
InChIKeyJTTDLUNXELWAML-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.65
Rot. Bonds5

About dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate

dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate (PubChem CID 134901574) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate
PubChem CID134901574
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Namedimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C17H30O5Si/c1-17(2,3)23(6,7)22-13-10-8-9-12(11-13)14(15(18)20-4)16(19)21-5/h11-12,14H,8-10H2,1-7H3
InChIKeyJTTDLUNXELWAML-UHFFFAOYSA-N
XLogP3.65
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate 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

dimethyl 2-[(1R,5R)-5-methoxycarbonylcyclohex-2-en-1-yl]propanedioate
CID 12599400
dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate
CID 25208498
dimethyl 2-[(1S,5S)-5-methoxycarbonylcyclohex-2-en-1-yl]propanedioate
CID 101695189
dimethyl 2-[(1S,5R)-5-methoxycarbonylcyclohex-2-en-1-yl]propanedioate
CID 102038900
methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate
CID 134833524
dimethyl 2-[(E)-1-trimethylsilyloct-1-en-3-yl]propanedioate
CID 134900427
Dimethyl 2-[[3-[tert-butyl(dimethyl)silyl]oxy-6-formylcyclohex-2-en-1-yl]methyl]cyclopropane-1,1-dicarboxylate
CID 135028470
Diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-(2-methylprop-2-enyl)propanedioate
CID 176435360
methyl (1S,2E,4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-formyl-4-propan-2-ylcyclooct-2-ene-1-carboxylate
CID 15535398
Ethyl 3-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate
CID 53304458
Methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
CID 101202524
1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate
CID 11012847

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate?
The IUPAC name of dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate (CID 134901574) is dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate.
What is the SMILES notation for dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate?
The canonical SMILES for dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate is COC(=O)C(C(=O)OC)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate?
The InChIKey is JTTDLUNXELWAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O5Si/c1-17(2,3)23(6,7)22-13-10-8-9-12(11-13)14(15(18)20-4)16(19)21-5/h11-12,14H,8-10H2,1-7H3.
What are the key properties of dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate?
dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate has a molecular weight of 342.51 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate is sourced from PubChem (CID 134901574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).