cyclohepten-1-yloxy(diethyl)borane

C11H21BO — CID 21482452

IUPACcyclohepten-1-yloxy(diethyl)borane
SMILESCCB(CC)OC1=CCCCCC1
InChIInChI=1S/C11H21BO/c1-3-12(4-2)13-11-9-7-5-6-8-10-11/h9H,3-8,10H2,1-2H3
InChIKeyRUTBSHBYRGPJQP-UHFFFAOYSA-N
MW180.10 g/mol
LogP3.88
Rot. Bonds4

About cyclohepten-1-yloxy(diethyl)borane

cyclohepten-1-yloxy(diethyl)borane (PubChem CID 21482452) has the molecular formula C11H21BO and a molecular weight of 180.10 g/mol. Its IUPAC name is cyclohepten-1-yloxy(diethyl)borane.

Molecular Properties

Compound Namecyclohepten-1-yloxy(diethyl)borane
PubChem CID21482452
Molecular FormulaC11H21BO
Molecular Weight180.10 g/mol
Exact Mass180.17
IUPAC Namecyclohepten-1-yloxy(diethyl)borane
SMILESCCB(CC)OC1=CCCCCC1
InChIInChI=1S/C11H21BO/c1-3-12(4-2)13-11-9-7-5-6-8-10-11/h9H,3-8,10H2,1-2H3
InChIKeyRUTBSHBYRGPJQP-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 53.88
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 cyclohepten-1-yloxy(diethyl)borane?
The IUPAC name of cyclohepten-1-yloxy(diethyl)borane (CID 21482452) is cyclohepten-1-yloxy(diethyl)borane.
What is the SMILES notation for cyclohepten-1-yloxy(diethyl)borane?
The canonical SMILES for cyclohepten-1-yloxy(diethyl)borane is CCB(CC)OC1=CCCCCC1.
What is the InChIKey of cyclohepten-1-yloxy(diethyl)borane?
The InChIKey is RUTBSHBYRGPJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO/c1-3-12(4-2)13-11-9-7-5-6-8-10-11/h9H,3-8,10H2,1-2H3.
What are the key properties of cyclohepten-1-yloxy(diethyl)borane?
cyclohepten-1-yloxy(diethyl)borane has a molecular weight of 180.10 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yloxy(diethyl)borane is sourced from PubChem (CID 21482452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).