tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane

C23H42O2Si2 — CID 72544993

IUPACtert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane
SMILESC#C[C@H](C[C@@H]1[C@@H](C(=C)C)CC=C(C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O2Si2/c1-13-19(24-27(11,12)23(5,6)7)16-21-20(17(2)3)15-14-18(4)22(21)25-26(8,9)10/h1,14,19-22H,2,15-16H2,3-12H3/t19-,20-,21-,22-/m1/s1
InChIKeyJBNXAIMIHYUHRX-GXRSIYKFSA-N
MW406.76 g/mol
LogP6.78
Rot. Bonds7

About tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane (PubChem CID 72544993) has the molecular formula C23H42O2Si2 and a molecular weight of 406.76 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane
PubChem CID72544993
Molecular FormulaC23H42O2Si2
Molecular Weight406.76 g/mol
Exact Mass406.27
IUPAC Nametert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane
SMILESC#C[C@H](C[C@@H]1[C@@H](C(=C)C)CC=C(C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O2Si2/c1-13-19(24-27(11,12)23(5,6)7)16-21-20(17(2)3)15-14-18(4)22(21)25-26(8,9)10/h1,14,19-22H,2,15-16H2,3-12H3/t19-,20-,21-,22-/m1/s1
InChIKeyJBNXAIMIHYUHRX-GXRSIYKFSA-N
XLogP6.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.76
LogP ≤ 56.78
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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Related Compounds

trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane
CID 14060264
tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane
CID 134859193
triethyl-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane
CID 134945474
triethyl-[(1R,5R)-2-methyl-5-prop-1-en-2-yl-1-prop-2-ynyl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]oxysilane
CID 134945475
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
tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane
CID 15672913
tert-butyl-[(3S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane
CID 15672914
tert-butyl-[(3S,5R)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane
CID 15672915
tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane
CID 15672916
[2-(3-Ethynyl-cyclohex-3-enyl)ethoxy]-triisopropyl-silane
CID 21986068
tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane
CID 58913831
tert-butyl-[(1S,5R)-3-ethynyl-2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl]oxy-dimethylsilane
CID 89472488

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane (CID 72544993) is tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane is C#C[C@H](C[C@@H]1[C@@H](C(=C)C)CC=C(C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane?
The InChIKey is JBNXAIMIHYUHRX-GXRSIYKFSA-N. The full InChI is InChI=1S/C23H42O2Si2/c1-13-19(24-27(11,12)23(5,6)7)16-21-20(17(2)3)15-14-18(4)22(21)25-26(8,9)10/h1,14,19-22H,2,15-16H2,3-12H3/t19-,20-,21-,22-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane has a molecular weight of 406.76 g/mol, XLogP of 6.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-1-[(1R,2S,6S)-3-methyl-6-prop-1-en-2-yl-2-trimethylsilyloxycyclohex-3-en-1-yl]but-3-yn-2-yl]oxysilane is sourced from PubChem (CID 72544993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).