tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane

C25H53IO4Si2 — CID 72713561

IUPACtert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane
SMILESCOCO[C@H]([C@H](C)CCI)[C@@H](C/C=C\CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H53IO4Si2/c1-21(17-18-26)23(28-20-27-8)22(30-32(11,12)25(5,6)7)16-14-13-15-19-29-31(9,10)24(2,3)4/h13-14,21-23H,15-20H2,1-12H3/b14-13-/t21-,22-,23-/m1/s1
InChIKeyBGELYOWHCIRMRG-VXGJMBBTSA-N
MW600.77 g/mol
LogP8.19
Rot. Bonds15

About tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane

tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane (PubChem CID 72713561) has the molecular formula C25H53IO4Si2 and a molecular weight of 600.77 g/mol. Its IUPAC name is tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane
PubChem CID72713561
Molecular FormulaC25H53IO4Si2
Molecular Weight600.77 g/mol
Exact Mass600.25
IUPAC Nametert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane
SMILESCOCO[C@H]([C@H](C)CCI)[C@@H](C/C=C\CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H53IO4Si2/c1-21(17-18-26)23(28-20-27-8)22(30-32(11,12)25(5,6)7)16-14-13-15-19-29-31(9,10)24(2,3)4/h13-14,21-23H,15-20H2,1-12H3/b14-13-/t21-,22-,23-/m1/s1
InChIKeyBGELYOWHCIRMRG-VXGJMBBTSA-N
XLogP8.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane 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 tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane (CID 72713561) is tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane is COCO[C@H]([C@H](C)CCI)[C@@H](C/C=C\CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane?
The InChIKey is BGELYOWHCIRMRG-VXGJMBBTSA-N. The full InChI is InChI=1S/C25H53IO4Si2/c1-21(17-18-26)23(28-20-27-8)22(30-32(11,12)25(5,6)7)16-14-13-15-19-29-31(9,10)24(2,3)4/h13-14,21-23H,15-20H2,1-12H3/b14-13-/t21-,22-,23-/m1/s1.
What are the key properties of tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane?
tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane has a molecular weight of 600.77 g/mol, XLogP of 8.19, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-10-iodo-7-(methoxymethoxy)-8-methyldec-3-enoxy]-dimethylsilane is sourced from PubChem (CID 72713561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).