tert-butyl(dicyclohexyloxy)borane

C16H31BO2 — CID 141214585

IUPACtert-butyl(dicyclohexyloxy)borane
SMILESCC(C)(C)B(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C16H31BO2/c1-16(2,3)17(18-14-10-6-4-7-11-14)19-15-12-8-5-9-13-15/h14-15H,4-13H2,1-3H3
InChIKeyXNUBJHIFCGQRBX-UHFFFAOYSA-N
MW266.23 g/mol
LogP4.97
Rot. Bonds4

About tert-butyl(dicyclohexyloxy)borane

tert-butyl(dicyclohexyloxy)borane (PubChem CID 141214585) has the molecular formula C16H31BO2 and a molecular weight of 266.23 g/mol. Its IUPAC name is tert-butyl(dicyclohexyloxy)borane.

Molecular Properties

Compound Nametert-butyl(dicyclohexyloxy)borane
PubChem CID141214585
Molecular FormulaC16H31BO2
Molecular Weight266.23 g/mol
Exact Mass266.24
IUPAC Nametert-butyl(dicyclohexyloxy)borane
SMILESCC(C)(C)B(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C16H31BO2/c1-16(2,3)17(18-14-10-6-4-7-11-14)19-15-12-8-5-9-13-15/h14-15H,4-13H2,1-3H3
InChIKeyXNUBJHIFCGQRBX-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 54.97
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

cyclodecyloxyboronic acid
CID 57131416
2-cyclohexyloxy-N,N-dimethylpropan-2-amine
CID 146651609
CID 174066686
CID 174066686
silyloxycyclohexane
CID 19892694
methoxycyclooctane
CID 551195
(2-methylpropan-2-yl)oxymethoxycyclohexane
CID 15032741
[(E)-prop-1-enoxy]cyclododecane
CID 5374044
1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol
CID 147950390
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
copper cyclohexylperoxy(dioxido)borane
CID 161435143
3-dicyclohexyloxyboranylbutanenitrile
CID 140624097

Frequently Asked Questions

What is the IUPAC name of tert-butyl(dicyclohexyloxy)borane?
The IUPAC name of tert-butyl(dicyclohexyloxy)borane (CID 141214585) is tert-butyl(dicyclohexyloxy)borane.
What is the SMILES notation for tert-butyl(dicyclohexyloxy)borane?
The canonical SMILES for tert-butyl(dicyclohexyloxy)borane is CC(C)(C)B(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of tert-butyl(dicyclohexyloxy)borane?
The InChIKey is XNUBJHIFCGQRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BO2/c1-16(2,3)17(18-14-10-6-4-7-11-14)19-15-12-8-5-9-13-15/h14-15H,4-13H2,1-3H3.
What are the key properties of tert-butyl(dicyclohexyloxy)borane?
tert-butyl(dicyclohexyloxy)borane has a molecular weight of 266.23 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(dicyclohexyloxy)borane is sourced from PubChem (CID 141214585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).