dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane

C18H35BO — CID 15758319

IUPACdibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane
SMILESCCCCB(CCCC)OC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H35BO/c1-6-8-14-19(15-9-7-2)20-17-12-10-16(11-13-17)18(3,4)5/h12,16H,6-11,13-15H2,1-5H3
InChIKeyUCGLIZHVQWJIKR-UHFFFAOYSA-N
MW278.29 g/mol
LogP6.32
Rot. Bonds8

About dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane

dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane (PubChem CID 15758319) has the molecular formula C18H35BO and a molecular weight of 278.29 g/mol. Its IUPAC name is dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane.

Molecular Properties

Compound Namedibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane
PubChem CID15758319
Molecular FormulaC18H35BO
Molecular Weight278.29 g/mol
Exact Mass278.28
IUPAC Namedibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane
SMILESCCCCB(CCCC)OC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H35BO/c1-6-8-14-19(15-9-7-2)20-17-12-10-16(11-13-17)18(3,4)5/h12,16H,6-11,13-15H2,1-5H3
InChIKeyUCGLIZHVQWJIKR-UHFFFAOYSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.29
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane?
The IUPAC name of dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane (CID 15758319) is dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane.
What is the SMILES notation for dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane?
The canonical SMILES for dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane is CCCCB(CCCC)OC1=CCC(C(C)(C)C)CC1.
What is the InChIKey of dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane?
The InChIKey is UCGLIZHVQWJIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BO/c1-6-8-14-19(15-9-7-2)20-17-12-10-16(11-13-17)18(3,4)5/h12,16H,6-11,13-15H2,1-5H3.
What are the key properties of dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane?
dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane has a molecular weight of 278.29 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane is sourced from PubChem (CID 15758319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).