[(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane

C25H47BO3Si — CID 134944787

IUPAC[(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC/C=C\[C@H](C)B1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1
InChIInChI=1S/C25H47BO3Si/c1-5-30(6-2,7-3)27-20-14-15-21(4)26-28-24(22-16-10-8-11-17-22)25(29-26)23-18-12-9-13-19-23/h14-15,21-25H,5-13,16-20H2,1-4H3/b15-14-/t21-,24-,25-/m0/s1
InChIKeyDFTKIDIKFDFWSB-BHXMFODHSA-N
MW434.55 g/mol
LogP7.39
Rot. Bonds10

About [(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane

[(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane (PubChem CID 134944787) has the molecular formula C25H47BO3Si and a molecular weight of 434.55 g/mol. Its IUPAC name is [(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane.

Molecular Properties

Compound Name[(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane
PubChem CID134944787
Molecular FormulaC25H47BO3Si
Molecular Weight434.55 g/mol
Exact Mass434.34
IUPAC Name[(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC/C=C\[C@H](C)B1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1
InChIInChI=1S/C25H47BO3Si/c1-5-30(6-2,7-3)27-20-14-15-21(4)26-28-24(22-16-10-8-11-17-22)25(29-26)23-18-12-9-13-19-23/h14-15,21-25H,5-13,16-20H2,1-4H3/b15-14-/t21-,24-,25-/m0/s1
InChIKeyDFTKIDIKFDFWSB-BHXMFODHSA-N
XLogP7.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.55
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane
CID 10597475
tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane
CID 10525390
(4S,5S)-4,5-dicyclohexyl-2-[(Z,2S)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 10924722
(4R,5R)-4,5-dicyclohexyl-2-[(Z,2R)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 10935585
tert-butyl-[(Z,1S)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane
CID 13228833
tert-butyl-[(Z,1R)-1-cyclohexyl-2-dibutylboranyloxybut-2-enoxy]-dimethylsilane
CID 13228834
(4R,5R)-4,5-dicyclohexyl-2-[(Z,2S)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 134906402
(4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane
CID 134906451
tert-butyl-[(E)-3-[(5S)-5-cyclohexyl-4,4-dimethyl-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-dimethylsilane
CID 135048704
tert-butyl-[(1S,3R)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane
CID 154713052
tert-butyl-[(E,1R,2S)-1-cyclohexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoxy]-dimethylsilane
CID 140735201
(4R,5R)-4,5-dicyclohexyl-2-[(E,2R)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 14414858

Frequently Asked Questions

What is the IUPAC name of [(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane?
The IUPAC name of [(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane (CID 134944787) is [(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane.
What is the SMILES notation for [(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane?
The canonical SMILES for [(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane is CC[Si](CC)(CC)OC/C=C\[C@H](C)B1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1.
What is the InChIKey of [(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane?
The InChIKey is DFTKIDIKFDFWSB-BHXMFODHSA-N. The full InChI is InChI=1S/C25H47BO3Si/c1-5-30(6-2,7-3)27-20-14-15-21(4)26-28-24(22-16-10-8-11-17-22)25(29-26)23-18-12-9-13-19-23/h14-15,21-25H,5-13,16-20H2,1-4H3/b15-14-/t21-,24-,25-/m0/s1.
What are the key properties of [(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane?
[(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane has a molecular weight of 434.55 g/mol, XLogP of 7.39, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane is sourced from PubChem (CID 134944787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).