tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane

C27H50O2Si2 — CID 25232106

IUPACtert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane
SMILESC#CCC(C)(O[Si](CC)(CC)CC)C1=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C(=C)C)C1
InChIInChI=1S/C27H50O2Si2/c1-14-18-27(11,29-31(15-2,16-3)17-4)24-19-23(21(5)6)20-25(22(24)7)28-30(12,13)26(8,9)10/h1,23,25H,5,15-20H2,2-4,6-13H3/t23-,25-,27?/m0/s1
InChIKeyZNMPFHSZKJLOMJ-HUSGHDHESA-N
MW462.87 g/mol
LogP8.48
Rot. Bonds10

About tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane (PubChem CID 25232106) has the molecular formula C27H50O2Si2 and a molecular weight of 462.87 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane
PubChem CID25232106
Molecular FormulaC27H50O2Si2
Molecular Weight462.87 g/mol
Exact Mass462.33
IUPAC Nametert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane
SMILESC#CCC(C)(O[Si](CC)(CC)CC)C1=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C(=C)C)C1
InChIInChI=1S/C27H50O2Si2/c1-14-18-27(11,29-31(15-2,16-3)17-4)24-19-23(21(5)6)20-25(22(24)7)28-30(12,13)26(8,9)10/h1,23,25H,5,15-20H2,2-4,6-13H3/t23-,25-,27?/m0/s1
InChIKeyZNMPFHSZKJLOMJ-HUSGHDHESA-N
XLogP8.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.87
LogP ≤ 58.48
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-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane (CID 25232106) is tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane is C#CCC(C)(O[Si](CC)(CC)CC)C1=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C(=C)C)C1.
What is the InChIKey of tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane?
The InChIKey is ZNMPFHSZKJLOMJ-HUSGHDHESA-N. The full InChI is InChI=1S/C27H50O2Si2/c1-14-18-27(11,29-31(15-2,16-3)17-4)24-19-23(21(5)6)20-25(22(24)7)28-30(12,13)26(8,9)10/h1,23,25H,5,15-20H2,2-4,6-13H3/t23-,25-,27?/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane has a molecular weight of 462.87 g/mol, XLogP of 8.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S,5S)-2-methyl-5-prop-1-en-2-yl-3-(2-triethylsilyloxypent-4-yn-2-yl)cyclohex-2-en-1-yl]oxysilane is sourced from PubChem (CID 25232106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).