tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane

C24H49BO2Si — CID 13228833

IUPACtert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane
SMILESC/C=C(\OB(CCCC)CCCC)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C24H49BO2Si/c1-9-12-19-25(20-13-10-2)26-22(11-3)23(21-17-15-14-16-18-21)27-28(7,8)24(4,5)6/h11,21,23H,9-10,12-20H2,1-8H3/b22-11-/t23-/m0/s1
InChIKeyHGMANWBRXMOUHG-KIJDSKARSA-N
MW408.55 g/mol
LogP8.47
Rot. Bonds12

About tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane

tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane (PubChem CID 13228833) has the molecular formula C24H49BO2Si and a molecular weight of 408.55 g/mol. Its IUPAC name is tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane
PubChem CID13228833
Molecular FormulaC24H49BO2Si
Molecular Weight408.55 g/mol
Exact Mass408.36
IUPAC Nametert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane
SMILESC/C=C(\OB(CCCC)CCCC)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C24H49BO2Si/c1-9-12-19-25(20-13-10-2)26-22(11-3)23(21-17-15-14-16-18-21)27-28(7,8)24(4,5)6/h11,21,23H,9-10,12-20H2,1-8H3/b22-11-/t23-/m0/s1
InChIKeyHGMANWBRXMOUHG-KIJDSKARSA-N
XLogP8.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(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
tert-butyl-[(Z,1R)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane
CID 13228834
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
lithium (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-olate
CID 134846364
[(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane
CID 134944787
(4S,7R)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999408
(4S,7S)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 135000864
1-cyclohexylprop-2-enoxy-[(2E,5E)-hepta-2,5-dien-4-yl]oxy-di(propan-2-yl)silane
CID 135079746
tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane
CID 146167066
tert-butyl-[(1S)-1-cyclohexyl-2-trimethylsilyloxybut-2-enoxy]-dimethylsilane
CID 140080811
tert-butyl-[(1R)-1-cyclohexyl-2-trimethylsilyloxybut-2-enoxy]-dimethylsilane
CID 140080812

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane (CID 13228833) is tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane is C/C=C(\OB(CCCC)CCCC)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane?
The InChIKey is HGMANWBRXMOUHG-KIJDSKARSA-N. The full InChI is InChI=1S/C24H49BO2Si/c1-9-12-19-25(20-13-10-2)26-22(11-3)23(21-17-15-14-16-18-21)27-28(7,8)24(4,5)6/h11,21,23H,9-10,12-20H2,1-8H3/b22-11-/t23-/m0/s1.
What are the key properties of tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane?
tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane has a molecular weight of 408.55 g/mol, XLogP of 8.47, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane is sourced from PubChem (CID 13228833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).