dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate

C15H28O7Si — CID 11046289

IUPACdimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate
SMILESCOC(=O)[C@H](O)/C=C(/C[C@@H](O)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O7Si/c1-15(2,3)23(6,7)22-10(8-11(16)13(18)20-4)9-12(17)14(19)21-5/h8,11-12,16-17H,9H2,1-7H3/b10-8-/t11-,12-/m1/s1
InChIKeyXJSYHPOMWWTVSI-NRCZCXPTSA-N
MW348.47 g/mol
LogP1.35
Rot. Bonds7

About dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate

dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate (PubChem CID 11046289) has the molecular formula C15H28O7Si and a molecular weight of 348.47 g/mol. Its IUPAC name is dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate.

Molecular Properties

Compound Namedimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate
PubChem CID11046289
Molecular FormulaC15H28O7Si
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Namedimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate
SMILESCOC(=O)[C@H](O)/C=C(/C[C@@H](O)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O7Si/c1-15(2,3)23(6,7)22-10(8-11(16)13(18)20-4)9-12(17)14(19)21-5/h8,11-12,16-17H,9H2,1-7H3/b10-8-/t11-,12-/m1/s1
InChIKeyXJSYHPOMWWTVSI-NRCZCXPTSA-N
XLogP1.35
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate?
The IUPAC name of dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate (CID 11046289) is dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate.
What is the SMILES notation for dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate?
The canonical SMILES for dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate is COC(=O)[C@H](O)/C=C(/C[C@@H](O)C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate?
The InChIKey is XJSYHPOMWWTVSI-NRCZCXPTSA-N. The full InChI is InChI=1S/C15H28O7Si/c1-15(2,3)23(6,7)22-10(8-11(16)13(18)20-4)9-12(17)14(19)21-5/h8,11-12,16-17H,9H2,1-7H3/b10-8-/t11-,12-/m1/s1.
What are the key properties of dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate?
dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate has a molecular weight of 348.47 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z,2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyhept-3-enedioate is sourced from PubChem (CID 11046289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).