CID 88849598

C11H17BP+ — CID 88849598

IUPAC—
SMILES[B][P+](C)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C11H17BP/c1-11(2,3)13(4,12)10-8-6-5-7-9-10/h5-9H,1-4H3/q+1
InChIKeyJRPPMXFYXRYZSW-UHFFFAOYSA-N
MW191.04 g/mol
LogP2.84
Rot. Bonds1

About CID 88849598

CID 88849598 (PubChem CID 88849598) has the molecular formula C11H17BP+ and a molecular weight of 191.04 g/mol.

Molecular Properties

Compound NameCID 88849598
PubChem CID88849598
Molecular FormulaC11H17BP+
Molecular Weight191.04 g/mol
Exact Mass191.12
IUPAC Name—
SMILES[B][P+](C)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C11H17BP/c1-11(2,3)13(4,12)10-8-6-5-7-9-10/h5-9H,1-4H3/q+1
InChIKeyJRPPMXFYXRYZSW-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.04
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 88849598?
The IUPAC name of CID 88849598 (CID 88849598) is not available.
What is the SMILES notation for CID 88849598?
The canonical SMILES for CID 88849598 is [B][P+](C)(c1ccccc1)C(C)(C)C.
What is the InChIKey of CID 88849598?
The InChIKey is JRPPMXFYXRYZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BP/c1-11(2,3)13(4,12)10-8-6-5-7-9-10/h5-9H,1-4H3/q+1.
What are the key properties of CID 88849598?
CID 88849598 has a molecular weight of 191.04 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88849598 is sourced from PubChem (CID 88849598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).