CID 123893282

C11H21B — CID 123893282

IUPAC—
SMILES[B]C1(C)CCCCC(C(C)C)C1
InChIInChI=1S/C11H21B/c1-9(2)10-6-4-5-7-11(3,12)8-10/h9-10H,4-8H2,1-3H3
InChIKeyQSEBQEUEBPWULM-UHFFFAOYSA-N
MW164.10 g/mol
LogP3.57
Rot. Bonds1

About CID 123893282

CID 123893282 (PubChem CID 123893282) has the molecular formula C11H21B and a molecular weight of 164.10 g/mol.

Molecular Properties

Compound NameCID 123893282
PubChem CID123893282
Molecular FormulaC11H21B
Molecular Weight164.10 g/mol
Exact Mass164.17
IUPAC Name—
SMILES[B]C1(C)CCCCC(C(C)C)C1
InChIInChI=1S/C11H21B/c1-9(2)10-6-4-5-7-11(3,12)8-10/h9-10H,4-8H2,1-3H3
InChIKeyQSEBQEUEBPWULM-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 53.57
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 123893282?
The IUPAC name of CID 123893282 (CID 123893282) is not available.
What is the SMILES notation for CID 123893282?
The canonical SMILES for CID 123893282 is [B]C1(C)CCCCC(C(C)C)C1.
What is the InChIKey of CID 123893282?
The InChIKey is QSEBQEUEBPWULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21B/c1-9(2)10-6-4-5-7-11(3,12)8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of CID 123893282?
CID 123893282 has a molecular weight of 164.10 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123893282 is sourced from PubChem (CID 123893282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).