CID 161008238

C10H14BY- — CID 161008238

IUPAC—
SMILESCCc1[c-]cccc1.[B]CC.[Y]
InChIInChI=1S/C8H9.C2H5B.Y/c1-2-8-6-4-3-5-7-8;1-2-3;/h3-6H,2H2,1H3;2H2,1H3;/q-1;;
InChIKeyCKDHPKITHFATRZ-UHFFFAOYSA-N
MW233.94 g/mol
LogP2.64
Rot. Bonds1

About CID 161008238

CID 161008238 (PubChem CID 161008238) has the molecular formula C10H14BY- and a molecular weight of 233.94 g/mol.

Molecular Properties

Compound NameCID 161008238
PubChem CID161008238
Molecular FormulaC10H14BY-
Molecular Weight233.94 g/mol
Exact Mass234.03
IUPAC Name—
SMILESCCc1[c-]cccc1.[B]CC.[Y]
InChIInChI=1S/C8H9.C2H5B.Y/c1-2-8-6-4-3-5-7-8;1-2-3;/h3-6H,2H2,1H3;2H2,1H3;/q-1;;
InChIKeyCKDHPKITHFATRZ-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.94
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 161008238?
The IUPAC name of CID 161008238 (CID 161008238) is not available.
What is the SMILES notation for CID 161008238?
The canonical SMILES for CID 161008238 is CCc1[c-]cccc1.[B]CC.[Y].
What is the InChIKey of CID 161008238?
The InChIKey is CKDHPKITHFATRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.C2H5B.Y/c1-2-8-6-4-3-5-7-8;1-2-3;/h3-6H,2H2,1H3;2H2,1H3;/q-1;;.
What are the key properties of CID 161008238?
CID 161008238 has a molecular weight of 233.94 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161008238 is sourced from PubChem (CID 161008238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).