tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane

C22H40O2Si2 — CID 89461075

IUPACtert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC#CC1=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=C)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H40O2Si2/c1-14-18-15-19(23-25(10,11)21(4,5)6)17(3)20(16(18)2)24-26(12,13)22(7,8)9/h1,19-20H,3,15H2,2,4-13H3/t19-,20-/m1/s1
InChIKeyZEGGBTHAAGTSHW-WOJBJXKFSA-N
MW392.73 g/mol
LogP6.68
Rot. Bonds4

About tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 89461075) has the molecular formula C22H40O2Si2 and a molecular weight of 392.73 g/mol. Its IUPAC name is tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID89461075
Molecular FormulaC22H40O2Si2
Molecular Weight392.73 g/mol
Exact Mass392.26
IUPAC Nametert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC#CC1=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=C)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H40O2Si2/c1-14-18-15-19(23-25(10,11)21(4,5)6)17(3)20(16(18)2)24-26(12,13)22(7,8)9/h1,19-20H,3,15H2,2,4-13H3/t19-,20-/m1/s1
InChIKeyZEGGBTHAAGTSHW-WOJBJXKFSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.73
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane (CID 89461075) is tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane is C#CC1=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=C)[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is ZEGGBTHAAGTSHW-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H40O2Si2/c1-14-18-15-19(23-25(10,11)21(4,5)6)17(3)20(16(18)2)24-26(12,13)22(7,8)9/h1,19-20H,3,15H2,2,4-13H3/t19-,20-/m1/s1.
What are the key properties of tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 392.73 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-methyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 89461075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).