CID 174147785

C13H22B2 — CID 174147785

IUPAC—
SMILES[B]C([B])(C)C1CC2CCCCC(C1)C2C
InChIInChI=1S/C13H22B2/c1-9-10-5-3-4-6-11(9)8-12(7-10)13(2,14)15/h9-12H,3-8H2,1-2H3
InChIKeyUFCPJVYQAYQVGT-UHFFFAOYSA-N
MW199.94 g/mol
LogP3.31
Rot. Bonds1

About CID 174147785

CID 174147785 (PubChem CID 174147785) has the molecular formula C13H22B2 and a molecular weight of 199.94 g/mol.

Molecular Properties

Compound NameCID 174147785
PubChem CID174147785
Molecular FormulaC13H22B2
Molecular Weight199.94 g/mol
Exact Mass200.19
IUPAC Name—
SMILES[B]C([B])(C)C1CC2CCCCC(C1)C2C
InChIInChI=1S/C13H22B2/c1-9-10-5-3-4-6-11(9)8-12(7-10)13(2,14)15/h9-12H,3-8H2,1-2H3
InChIKeyUFCPJVYQAYQVGT-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.94
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 174147785?
The IUPAC name of CID 174147785 (CID 174147785) is not available.
What is the SMILES notation for CID 174147785?
The canonical SMILES for CID 174147785 is [B]C([B])(C)C1CC2CCCCC(C1)C2C.
What is the InChIKey of CID 174147785?
The InChIKey is UFCPJVYQAYQVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22B2/c1-9-10-5-3-4-6-11(9)8-12(7-10)13(2,14)15/h9-12H,3-8H2,1-2H3.
What are the key properties of CID 174147785?
CID 174147785 has a molecular weight of 199.94 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174147785 is sourced from PubChem (CID 174147785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).