cyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane

C11H19B — CID 22485883

IUPACcyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane
SMILESCC(C)B(C1=CC=CC1)C(C)C
InChIInChI=1S/C11H19B/c1-9(2)12(10(3)4)11-7-5-6-8-11/h5-7,9-10H,8H2,1-4H3
InChIKeyYNOAXTXCIWTYNN-UHFFFAOYSA-N
MW162.09 g/mol
LogP3.73
Rot. Bonds3

About cyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane

cyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane (PubChem CID 22485883) has the molecular formula C11H19B and a molecular weight of 162.09 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane
PubChem CID22485883
Molecular FormulaC11H19B
Molecular Weight162.09 g/mol
Exact Mass162.16
IUPAC Namecyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane
SMILESCC(C)B(C1=CC=CC1)C(C)C
InChIInChI=1S/C11H19B/c1-9(2)12(10(3)4)11-7-5-6-8-11/h5-7,9-10H,8H2,1-4H3
InChIKeyYNOAXTXCIWTYNN-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.09
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 cyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane?
The IUPAC name of cyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane (CID 22485883) is cyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane?
The canonical SMILES for cyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane is CC(C)B(C1=CC=CC1)C(C)C.
What is the InChIKey of cyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane?
The InChIKey is YNOAXTXCIWTYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19B/c1-9(2)12(10(3)4)11-7-5-6-8-11/h5-7,9-10H,8H2,1-4H3.
What are the key properties of cyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane?
cyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane has a molecular weight of 162.09 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl-di(propan-2-yl)borane is sourced from PubChem (CID 22485883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).