bis[(Z)-but-2-en-2-yl]-phenylborane

C14H19B — CID 142846699

IUPACbis[(Z)-but-2-en-2-yl]-phenylborane
SMILESC/C=C(\C)B(/C(C)=C/C)c1ccccc1
InChIInChI=1S/C14H19B/c1-5-12(3)15(13(4)6-2)14-10-8-7-9-11-14/h5-11H,1-4H3/b12-5+,13-6+
InChIKeyRFUVHAFXCSZCBM-BYDSPXIWSA-N
MW198.12 g/mol
LogP3.40
Rot. Bonds3

About bis[(Z)-but-2-en-2-yl]-phenylborane

bis[(Z)-but-2-en-2-yl]-phenylborane (PubChem CID 142846699) has the molecular formula C14H19B and a molecular weight of 198.12 g/mol. Its IUPAC name is bis[(Z)-but-2-en-2-yl]-phenylborane.

Molecular Properties

Compound Namebis[(Z)-but-2-en-2-yl]-phenylborane
PubChem CID142846699
Molecular FormulaC14H19B
Molecular Weight198.12 g/mol
Exact Mass198.16
IUPAC Namebis[(Z)-but-2-en-2-yl]-phenylborane
SMILESC/C=C(\C)B(/C(C)=C/C)c1ccccc1
InChIInChI=1S/C14H19B/c1-5-12(3)15(13(4)6-2)14-10-8-7-9-11-14/h5-11H,1-4H3/b12-5+,13-6+
InChIKeyRFUVHAFXCSZCBM-BYDSPXIWSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.12
LogP ≤ 53.40
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 bis[(Z)-but-2-en-2-yl]-phenylborane?
The IUPAC name of bis[(Z)-but-2-en-2-yl]-phenylborane (CID 142846699) is bis[(Z)-but-2-en-2-yl]-phenylborane.
What is the SMILES notation for bis[(Z)-but-2-en-2-yl]-phenylborane?
The canonical SMILES for bis[(Z)-but-2-en-2-yl]-phenylborane is C/C=C(\C)B(/C(C)=C/C)c1ccccc1.
What is the InChIKey of bis[(Z)-but-2-en-2-yl]-phenylborane?
The InChIKey is RFUVHAFXCSZCBM-BYDSPXIWSA-N. The full InChI is InChI=1S/C14H19B/c1-5-12(3)15(13(4)6-2)14-10-8-7-9-11-14/h5-11H,1-4H3/b12-5+,13-6+.
What are the key properties of bis[(Z)-but-2-en-2-yl]-phenylborane?
bis[(Z)-but-2-en-2-yl]-phenylborane has a molecular weight of 198.12 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(Z)-but-2-en-2-yl]-phenylborane is sourced from PubChem (CID 142846699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).