tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane

C21H41BO2Si — CID 134904643

IUPACtert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)CB1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1
InChIInChI=1S/C21H41BO2Si/c1-21(2,3)25(4,5)16-22-23-19(17-12-8-6-9-13-17)20(24-22)18-14-10-7-11-15-18/h17-20H,6-16H2,1-5H3/t19-,20-/m0/s1
InChIKeyJHLCNOKWEZQQKR-PMACEKPBSA-N
MW364.46 g/mol
LogP6.47
Rot. Bonds4

About tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane

tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane (PubChem CID 134904643) has the molecular formula C21H41BO2Si and a molecular weight of 364.46 g/mol. Its IUPAC name is tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane
PubChem CID134904643
Molecular FormulaC21H41BO2Si
Molecular Weight364.46 g/mol
Exact Mass364.30
IUPAC Nametert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)CB1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1
InChIInChI=1S/C21H41BO2Si/c1-21(2,3)25(4,5)16-22-23-19(17-12-8-6-9-13-17)20(24-22)18-14-10-7-11-15-18/h17-20H,6-16H2,1-5H3/t19-,20-/m0/s1
InChIKeyJHLCNOKWEZQQKR-PMACEKPBSA-N
XLogP6.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
(4R,5R)-4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 10377401
(4R,5R)-4,5-dicyclohexyl-2-ethyl-1,3,2-dioxaborolane
CID 10912368
(4S,5S)-4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 10354715
tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methoxy]-dimethylsilane
CID 10499995
tert-butyl-[(E)-3-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]prop-1-enoxy]-dimethylsilane
CID 10525390
tert-butyl-[(2R)-2-chloro-2-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]ethoxy]-dimethylsilane
CID 10598658
tert-butyl-[(1S)-1-[(4S,5R,6S)-2-cyclohexyl-5-methyl-6-(2-methylpropyl)-1,3,2-dioxaborinan-4-yl]ethoxy]-dimethylsilane
CID 12020416
(4S,5S)-2-[(2S)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 134960507
(4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane
CID 135048199
4,5-Dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 18970935
2-Tert-butyl-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 20816344

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane (CID 134904643) is tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane is CC(C)(C)[Si](C)(C)CB1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1.
What is the InChIKey of tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane?
The InChIKey is JHLCNOKWEZQQKR-PMACEKPBSA-N. The full InChI is InChI=1S/C21H41BO2Si/c1-21(2,3)25(4,5)16-22-23-19(17-12-8-6-9-13-17)20(24-22)18-14-10-7-11-15-18/h17-20H,6-16H2,1-5H3/t19-,20-/m0/s1.
What are the key properties of tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane?
tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane has a molecular weight of 364.46 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane is sourced from PubChem (CID 134904643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).