diethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane

C13H25BO — CID 606281

IUPACdiethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane
SMILESCCB(CC)OC1=CC(C)(C)CC(C)C1
InChIInChI=1S/C13H25BO/c1-6-14(7-2)15-12-8-11(3)9-13(4,5)10-12/h10-11H,6-9H2,1-5H3
InChIKeyHETQFMFXXVYWJJ-UHFFFAOYSA-N
MW208.15 g/mol
LogP4.37
Rot. Bonds4

About diethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane

diethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane (PubChem CID 606281) has the molecular formula C13H25BO and a molecular weight of 208.15 g/mol. Its IUPAC name is diethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane.

Molecular Properties

Compound Namediethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane
PubChem CID606281
Molecular FormulaC13H25BO
Molecular Weight208.15 g/mol
Exact Mass208.20
IUPAC Namediethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane
SMILESCCB(CC)OC1=CC(C)(C)CC(C)C1
InChIInChI=1S/C13H25BO/c1-6-14(7-2)15-12-8-11(3)9-13(4,5)10-12/h10-11H,6-9H2,1-5H3
InChIKeyHETQFMFXXVYWJJ-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-tert-Butylcyclohexanolen
CID 12611406
Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy-
CID 10975890
Potassium;6-methylcyclohexen-1-olate;triethylborane
CID 23685819
lithium (4S)-4-tert-butylcyclohexen-1-olate
CID 23691561
Potassium triethyl-(6-methylcyclohexen-1-yl)oxyboranuide
CID 23712594
Tributyl-(4-tert-butylcyclohexen-1-yl)oxystannane
CID 85822547
lithium (4R)-4-tert-butylcyclohexen-1-olate
CID 102585708
sodium (4S)-4-tert-butylcyclohexen-1-olate
CID 134890160
sodium (4R)-4-tert-butylcyclohexen-1-olate
CID 134890242
lithium (5R)-5-tert-butylcyclohexen-1-olate
CID 135082027
3,5,5-Trimethylcyclohexen-1-ol
CID 20070232
1-Methoxy-3,5,5-trimethylcyclohexene
CID 20071907

Frequently Asked Questions

What is the IUPAC name of diethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane?
The IUPAC name of diethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane (CID 606281) is diethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane.
What is the SMILES notation for diethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane?
The canonical SMILES for diethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane is CCB(CC)OC1=CC(C)(C)CC(C)C1.
What is the InChIKey of diethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane?
The InChIKey is HETQFMFXXVYWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BO/c1-6-14(7-2)15-12-8-11(3)9-13(4,5)10-12/h10-11H,6-9H2,1-5H3.
What are the key properties of diethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane?
diethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane has a molecular weight of 208.15 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(3,3,5-trimethylcyclohexen-1-yl)oxyborane is sourced from PubChem (CID 606281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).