tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane

C26H46O2Si — CID 102407713

IUPACtert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@@H](C)/C=C/[C@H]2[C@H](C)[C@]3(C)CC[C@@]2(C)O3)CC1
InChIInChI=1S/C26H46O2Si/c1-18-11-13-21(23(17-18)27-29(9,10)24(4,5)6)19(2)12-14-22-20(3)25(7)15-16-26(22,8)28-25/h12,14,17,19-23H,11,13,15-16H2,1-10H3/b14-12+/t19-,20-,21+,22-,23+,25-,26+/m0/s1
InChIKeyLSGKMJDNNUGZIM-XFHURALMSA-N
MW418.74 g/mol
LogP7.52
Rot. Bonds5

About tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane (PubChem CID 102407713) has the molecular formula C26H46O2Si and a molecular weight of 418.74 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane
PubChem CID102407713
Molecular FormulaC26H46O2Si
Molecular Weight418.74 g/mol
Exact Mass418.33
IUPAC Nametert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@@H](C)/C=C/[C@H]2[C@H](C)[C@]3(C)CC[C@@]2(C)O3)CC1
InChIInChI=1S/C26H46O2Si/c1-18-11-13-21(23(17-18)27-29(9,10)24(4,5)6)19(2)12-14-22-20(3)25(7)15-16-26(22,8)28-25/h12,14,17,19-23H,11,13,15-16H2,1-10H3/b14-12+/t19-,20-,21+,22-,23+,25-,26+/m0/s1
InChIKeyLSGKMJDNNUGZIM-XFHURALMSA-N
XLogP7.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.74
LogP ≤ 57.52
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'}

Analyze tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane with MolForge

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Related Compounds

tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane
CID 11188127
tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-(1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane
CID 25033625
tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(Z,2S)-4-(1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane
CID 25033626
(1S,6R)-3-methyl-6-[(E,2S)-4-(1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)but-3-en-2-yl]cyclohex-2-en-1-ol
CID 25033753
(1S,6R)-3-methyl-6-[(Z,2S)-4-(1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)but-3-en-2-yl]cyclohex-2-en-1-ol
CID 25033754
(3R)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]-1-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-ol
CID 66575479
tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane
CID 66575495
(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-ol
CID 102160636
(1S,6R)-3-methyl-6-[(Z,2S)-4-[(1S,2R,3R,4R)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-ol
CID 102160637
(1S,6R)-3-methyl-6-[(Z,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-ol
CID 102160638
(1S,6R)-3-methyl-6-[(E,2S)-4-[(1S,2R,3R,4R)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-ol
CID 102160639
tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1S,2R,3R,4R)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane
CID 102407712

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane (CID 102407713) is tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane is CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@@H](C)/C=C/[C@H]2[C@H](C)[C@]3(C)CC[C@@]2(C)O3)CC1.
What is the InChIKey of tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane?
The InChIKey is LSGKMJDNNUGZIM-XFHURALMSA-N. The full InChI is InChI=1S/C26H46O2Si/c1-18-11-13-21(23(17-18)27-29(9,10)24(4,5)6)19(2)12-14-22-20(3)25(7)15-16-26(22,8)28-25/h12,14,17,19-23H,11,13,15-16H2,1-10H3/b14-12+/t19-,20-,21+,22-,23+,25-,26+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane has a molecular weight of 418.74 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-[(1R,2S,3S,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane is sourced from PubChem (CID 102407713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).