tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane

C21H42O4Si2 — CID 101193980

IUPACtert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane
SMILESC=CC(OC)O[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O4Si2/c1-13-18(22-8)23-16-14-15-17(24-26(9,10)20(2,3)4)19(16)25-27(11,12)21(5,6)7/h13-19H,1H2,2-12H3/t16-,17-,18?,19+/m1/s1
InChIKeyZAQLCMXCOSXUPZ-VPQXAQPCSA-N
MW414.74 g/mol
LogP5.88
Rot. Bonds8

About tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane (PubChem CID 101193980) has the molecular formula C21H42O4Si2 and a molecular weight of 414.74 g/mol. Its IUPAC name is tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane
PubChem CID101193980
Molecular FormulaC21H42O4Si2
Molecular Weight414.74 g/mol
Exact Mass414.26
IUPAC Nametert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane
SMILESC=CC(OC)O[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O4Si2/c1-13-18(22-8)23-16-14-15-17(24-26(9,10)20(2,3)4)19(16)25-27(11,12)21(5,6)7/h13-19H,1H2,2-12H3/t16-,17-,18?,19+/m1/s1
InChIKeyZAQLCMXCOSXUPZ-VPQXAQPCSA-N
XLogP5.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.74
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane (CID 101193980) is tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane is C=CC(OC)O[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is ZAQLCMXCOSXUPZ-VPQXAQPCSA-N. The full InChI is InChI=1S/C21H42O4Si2/c1-13-18(22-8)23-16-14-15-17(24-26(9,10)20(2,3)4)19(16)25-27(11,12)21(5,6)7/h13-19H,1H2,2-12H3/t16-,17-,18?,19+/m1/s1.
What are the key properties of tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 414.74 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-(1-methoxyprop-2-enoxy)cyclopent-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 101193980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).