CID 161096473

C10H17B — CID 161096473

IUPAC—
SMILESCC.[B]CC.c1ccccc1
InChIInChI=1S/C6H6.C2H5B.C2H6/c1-2-4-6-5-3-1;1-2-3;1-2/h1-6H;2H2,1H3;1-2H3
InChIKeyICCDXZIYUCXORU-UHFFFAOYSA-N
MW148.06 g/mol
LogP3.31
Rot. Bonds

About CID 161096473

CID 161096473 (PubChem CID 161096473) has the molecular formula C10H17B and a molecular weight of 148.06 g/mol.

Molecular Properties

Compound NameCID 161096473
PubChem CID161096473
Molecular FormulaC10H17B
Molecular Weight148.06 g/mol
Exact Mass148.14
IUPAC Name—
SMILESCC.[B]CC.c1ccccc1
InChIInChI=1S/C6H6.C2H5B.C2H6/c1-2-4-6-5-3-1;1-2-3;1-2/h1-6H;2H2,1H3;1-2H3
InChIKeyICCDXZIYUCXORU-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.06
LogP ≤ 53.31
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 161096473?
The IUPAC name of CID 161096473 (CID 161096473) is not available.
What is the SMILES notation for CID 161096473?
The canonical SMILES for CID 161096473 is CC.[B]CC.c1ccccc1.
What is the InChIKey of CID 161096473?
The InChIKey is ICCDXZIYUCXORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H5B.C2H6/c1-2-4-6-5-3-1;1-2-3;1-2/h1-6H;2H2,1H3;1-2H3.
What are the key properties of CID 161096473?
CID 161096473 has a molecular weight of 148.06 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161096473 is sourced from PubChem (CID 161096473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).