cyclopenten-1-yloxy(dipropyl)borane

C11H21BO — CID 134979239

IUPACcyclopenten-1-yloxy(dipropyl)borane
SMILESCCCB(CCC)OC1=CCCC1
InChIInChI=1S/C11H21BO/c1-3-9-12(10-4-2)13-11-7-5-6-8-11/h7H,3-6,8-10H2,1-2H3
InChIKeyMEUXITZTLVBHGR-UHFFFAOYSA-N
MW180.10 g/mol
LogP3.88
Rot. Bonds6

About cyclopenten-1-yloxy(dipropyl)borane

cyclopenten-1-yloxy(dipropyl)borane (PubChem CID 134979239) has the molecular formula C11H21BO and a molecular weight of 180.10 g/mol. Its IUPAC name is cyclopenten-1-yloxy(dipropyl)borane.

Molecular Properties

Compound Namecyclopenten-1-yloxy(dipropyl)borane
PubChem CID134979239
Molecular FormulaC11H21BO
Molecular Weight180.10 g/mol
Exact Mass180.17
IUPAC Namecyclopenten-1-yloxy(dipropyl)borane
SMILESCCCB(CCC)OC1=CCCC1
InChIInChI=1S/C11H21BO/c1-3-9-12(10-4-2)13-11-7-5-6-8-11/h7H,3-6,8-10H2,1-2H3
InChIKeyMEUXITZTLVBHGR-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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 cyclopenten-1-yloxy(dipropyl)borane?
The IUPAC name of cyclopenten-1-yloxy(dipropyl)borane (CID 134979239) is cyclopenten-1-yloxy(dipropyl)borane.
What is the SMILES notation for cyclopenten-1-yloxy(dipropyl)borane?
The canonical SMILES for cyclopenten-1-yloxy(dipropyl)borane is CCCB(CCC)OC1=CCCC1.
What is the InChIKey of cyclopenten-1-yloxy(dipropyl)borane?
The InChIKey is MEUXITZTLVBHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO/c1-3-9-12(10-4-2)13-11-7-5-6-8-11/h7H,3-6,8-10H2,1-2H3.
What are the key properties of cyclopenten-1-yloxy(dipropyl)borane?
cyclopenten-1-yloxy(dipropyl)borane has a molecular weight of 180.10 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yloxy(dipropyl)borane is sourced from PubChem (CID 134979239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).