tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane

C24H50O2Si2 — CID 135025444

IUPACtert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane
SMILESCC(C)[C@@H]1CC[C@@H](C)/C(=C/CO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O2Si2/c1-18(2)20-15-14-19(3)21(16-17-25-27(10,11)23(4,5)6)22(20)26-28(12,13)24(7,8)9/h16,18-20,22H,14-15,17H2,1-13H3/b21-16-/t19-,20+,22+/m1/s1
InChIKeyLYACKRUIJLSCSV-URXIOOCVSA-N
MW426.83 g/mol
LogP8.03
Rot. Bonds6

About tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane

tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane (PubChem CID 135025444) has the molecular formula C24H50O2Si2 and a molecular weight of 426.83 g/mol. Its IUPAC name is tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane
PubChem CID135025444
Molecular FormulaC24H50O2Si2
Molecular Weight426.83 g/mol
Exact Mass426.33
IUPAC Nametert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane
SMILESCC(C)[C@@H]1CC[C@@H](C)/C(=C/CO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O2Si2/c1-18(2)20-15-14-19(3)21(16-17-25-27(10,11)23(4,5)6)22(20)26-28(12,13)24(7,8)9/h16,18-20,22H,14-15,17H2,1-13H3/b21-16-/t19-,20+,22+/m1/s1
InChIKeyLYACKRUIJLSCSV-URXIOOCVSA-N
XLogP8.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.83
LogP ≤ 58.03
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'}

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Related Compounds

tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane
CID 11021914
[(4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4,4a,5,8-hexahydro-1H-benzo[7]annulen-9-yl]oxy-tert-butyl-dimethylsilane
CID 11090852
trimethyl-[(3R,5R)-5-methyl-3-[(E)-4-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclohexen-1-yl]oxysilane
CID 11774244
Tert-butyl-[[6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]cyclohexen-1-yl]methoxy]-dimethylsilane
CID 102475884
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
[(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane
CID 135019405
1-cyclohexylprop-2-enoxy-[(2E,5E)-hepta-2,5-dien-4-yl]oxy-di(propan-2-yl)silane
CID 135079746
2-Buten-1-ol, 4-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-3-methyl-, (1alpha(E),2beta)-
CID 6442719
Silane, (1,1-dimethylethyl)dimethyl((2-(2-methyl-2-butenyl)cyclohexyl)oxy)-, (1alpha,2beta(E))-
CID 6442720
tert-butyl-[(1R)-1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
CID 18636545
tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
CID 18636588
tert-butyl-[2-cyclohexyl-4-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]butan-2-yl]oxy-dimethylsilane
CID 18636592

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane (CID 135025444) is tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane is CC(C)[C@@H]1CC[C@@H](C)/C(=C/CO[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,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane?
The InChIKey is LYACKRUIJLSCSV-URXIOOCVSA-N. The full InChI is InChI=1S/C24H50O2Si2/c1-18(2)20-15-14-19(3)21(16-17-25-27(10,11)23(4,5)6)22(20)26-28(12,13)24(7,8)9/h16,18-20,22H,14-15,17H2,1-13H3/b21-16-/t19-,20+,22+/m1/s1.
What are the key properties of tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane has a molecular weight of 426.83 g/mol, XLogP of 8.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 135025444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).