cyclododecen-1-yloxy(diethyl)borane

C16H31BO — CID 557750

IUPACcyclododecen-1-yloxy(diethyl)borane
SMILESCCB(CC)OC1=CCCCCCCCCCC1
InChIInChI=1S/C16H31BO/c1-3-17(4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-16/h14H,3-13,15H2,1-2H3
InChIKeyUYQCVXPNDYZJKA-UHFFFAOYSA-N
MW250.23 g/mol
LogP5.83
Rot. Bonds4

About cyclododecen-1-yloxy(diethyl)borane

cyclododecen-1-yloxy(diethyl)borane (PubChem CID 557750) has the molecular formula C16H31BO and a molecular weight of 250.23 g/mol. Its IUPAC name is cyclododecen-1-yloxy(diethyl)borane.

Molecular Properties

Compound Namecyclododecen-1-yloxy(diethyl)borane
PubChem CID557750
Molecular FormulaC16H31BO
Molecular Weight250.23 g/mol
Exact Mass250.25
IUPAC Namecyclododecen-1-yloxy(diethyl)borane
SMILESCCB(CC)OC1=CCCCCCCCCCC1
InChIInChI=1S/C16H31BO/c1-3-17(4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-16/h14H,3-13,15H2,1-2H3
InChIKeyUYQCVXPNDYZJKA-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.23
LogP ≤ 55.83
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 cyclododecen-1-yloxy(diethyl)borane?
The IUPAC name of cyclododecen-1-yloxy(diethyl)borane (CID 557750) is cyclododecen-1-yloxy(diethyl)borane.
What is the SMILES notation for cyclododecen-1-yloxy(diethyl)borane?
The canonical SMILES for cyclododecen-1-yloxy(diethyl)borane is CCB(CC)OC1=CCCCCCCCCCC1.
What is the InChIKey of cyclododecen-1-yloxy(diethyl)borane?
The InChIKey is UYQCVXPNDYZJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BO/c1-3-17(4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-16/h14H,3-13,15H2,1-2H3.
What are the key properties of cyclododecen-1-yloxy(diethyl)borane?
cyclododecen-1-yloxy(diethyl)borane has a molecular weight of 250.23 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecen-1-yloxy(diethyl)borane is sourced from PubChem (CID 557750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).