dibutyl(cyclohexen-1-yloxy)borane

C14H27BO — CID 12737525

IUPACdibutyl(cyclohexen-1-yloxy)borane
SMILESCCCCB(CCCC)OC1=CCCCC1
InChIInChI=1S/C14H27BO/c1-3-5-12-15(13-6-4-2)16-14-10-8-7-9-11-14/h10H,3-9,11-13H2,1-2H3
InChIKeyHOFUUCBGZJBZLT-UHFFFAOYSA-N
MW222.18 g/mol
LogP5.05
Rot. Bonds8

About dibutyl(cyclohexen-1-yloxy)borane

dibutyl(cyclohexen-1-yloxy)borane (PubChem CID 12737525) has the molecular formula C14H27BO and a molecular weight of 222.18 g/mol. Its IUPAC name is dibutyl(cyclohexen-1-yloxy)borane.

Molecular Properties

Compound Namedibutyl(cyclohexen-1-yloxy)borane
PubChem CID12737525
Molecular FormulaC14H27BO
Molecular Weight222.18 g/mol
Exact Mass222.22
IUPAC Namedibutyl(cyclohexen-1-yloxy)borane
SMILESCCCCB(CCCC)OC1=CCCCC1
InChIInChI=1S/C14H27BO/c1-3-5-12-15(13-6-4-2)16-14-10-8-7-9-11-14/h10H,3-9,11-13H2,1-2H3
InChIKeyHOFUUCBGZJBZLT-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.18
LogP ≤ 55.05
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

CID 16695893
CID 16695893
CID 5367718
CID 5367718
CID 12488487
CID 12488487
CID 12488488
CID 12488488
CID 23685819
CID 23685819
CID 23712594
CID 23712594
CID 86169622
CID 86169622
CID 134888580
CID 134888580
CID 134979239
CID 134979239
CID 5370120
CID 5370120
CID 557750
CID 557750
CID 21482452
CID 21482452

Frequently Asked Questions

What is the IUPAC name of dibutyl(cyclohexen-1-yloxy)borane?
The IUPAC name of dibutyl(cyclohexen-1-yloxy)borane (CID 12737525) is dibutyl(cyclohexen-1-yloxy)borane.
What is the SMILES notation for dibutyl(cyclohexen-1-yloxy)borane?
The canonical SMILES for dibutyl(cyclohexen-1-yloxy)borane is CCCCB(CCCC)OC1=CCCCC1.
What is the InChIKey of dibutyl(cyclohexen-1-yloxy)borane?
The InChIKey is HOFUUCBGZJBZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BO/c1-3-5-12-15(13-6-4-2)16-14-10-8-7-9-11-14/h10H,3-9,11-13H2,1-2H3.
What are the key properties of dibutyl(cyclohexen-1-yloxy)borane?
dibutyl(cyclohexen-1-yloxy)borane has a molecular weight of 222.18 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(cyclohexen-1-yloxy)borane is sourced from PubChem (CID 12737525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).