CID 23535270

C10H14B- — CID 23535270

IUPAC—
SMILESCC(C)(C)[B-]c1ccccc1
InChIInChI=1S/C10H14B/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3/q-1
InChIKeySRSHSOKFPQAIPW-UHFFFAOYSA-N
MW145.03 g/mol
LogP2.23
Rot. Bonds1

About CID 23535270

CID 23535270 (PubChem CID 23535270) has the molecular formula C10H14B- and a molecular weight of 145.03 g/mol.

Molecular Properties

Compound NameCID 23535270
PubChem CID23535270
Molecular FormulaC10H14B-
Molecular Weight145.03 g/mol
Exact Mass145.12
IUPAC Name—
SMILESCC(C)(C)[B-]c1ccccc1
InChIInChI=1S/C10H14B/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3/q-1
InChIKeySRSHSOKFPQAIPW-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.03
LogP ≤ 52.23
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 CID 23535270?
The IUPAC name of CID 23535270 (CID 23535270) is not available.
What is the SMILES notation for CID 23535270?
The canonical SMILES for CID 23535270 is CC(C)(C)[B-]c1ccccc1.
What is the InChIKey of CID 23535270?
The InChIKey is SRSHSOKFPQAIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14B/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3/q-1.
What are the key properties of CID 23535270?
CID 23535270 has a molecular weight of 145.03 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23535270 is sourced from PubChem (CID 23535270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).