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

C21H41BO3Si — CID 10499995

IUPACtert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCB1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1
InChIInChI=1S/C21H41BO3Si/c1-21(2,3)26(4,5)23-16-22-24-19(17-12-8-6-9-13-17)20(25-22)18-14-10-7-11-15-18/h17-20H,6-16H2,1-5H3/t19-,20-/m0/s1
InChIKeyIDOHUOIFMQSIFA-PMACEKPBSA-N
MW380.45 g/mol
LogP5.98
Rot. Bonds5

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

tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methoxy]-dimethylsilane (PubChem CID 10499995) has the molecular formula C21H41BO3Si and a molecular weight of 380.45 g/mol. Its IUPAC name is tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methoxy]-dimethylsilane
PubChem CID10499995
Molecular FormulaC21H41BO3Si
Molecular Weight380.45 g/mol
Exact Mass380.29
IUPAC Nametert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCB1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1
InChIInChI=1S/C21H41BO3Si/c1-21(2,3)26(4,5)23-16-22-24-19(17-12-8-6-9-13-17)20(25-22)18-14-10-7-11-15-18/h17-20H,6-16H2,1-5H3/t19-,20-/m0/s1
InChIKeyIDOHUOIFMQSIFA-PMACEKPBSA-N
XLogP5.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethyl-1,3,2-dioxaborolane
CID 10912368
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
[(2S)-2-azido-2-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]ethoxy]-tert-butyl-dimethylsilane
CID 10788998
tert-butyl-[(1S)-1-[(4S,5R,6S)-2-cyclohexyl-5-methyl-6-(2-methylpropyl)-1,3,2-dioxaborinan-4-yl]ethoxy]-dimethylsilane
CID 12020416
Dicyclohexylmethoxy(triethyl)silane
CID 12172082
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]cyclobutane-1-carbonitrile
CID 134903384
tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane
CID 134904643
(4S,5S)-2-[(2S)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 134960507
2-Tert-butyl-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 20816344
(4R,5R)-4,5-dicyclohexyl-2-propan-2-yl-1,3,2-dioxaborolane
CID 22878720

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methoxy]-dimethylsilane (CID 10499995) is tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCB1O[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]methoxy]-dimethylsilane?
The InChIKey is IDOHUOIFMQSIFA-PMACEKPBSA-N. The full InChI is InChI=1S/C21H41BO3Si/c1-21(2,3)26(4,5)23-16-22-24-19(17-12-8-6-9-13-17)20(25-22)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]methoxy]-dimethylsilane?
tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methoxy]-dimethylsilane has a molecular weight of 380.45 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 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]methoxy]-dimethylsilane is sourced from PubChem (CID 10499995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).