CID 160613534

C11H24B2 — CID 160613534

IUPAC—
SMILES[2H]C([B])C(C)(C)C.[B]C(C)C(C)(C)C
InChIInChI=1S/C6H13B.C5H11B/c1-5(7)6(2,3)4;1-5(2,3)4-6/h5H,1-4H3;4H2,1-3H3/i;4D
InChIKeyUPNTUHWVLKAQPU-VZJQNQEBSA-N
MW178.94 g/mol
LogP3.63
Rot. Bonds

About CID 160613534

CID 160613534 (PubChem CID 160613534) has the molecular formula C11H24B2 and a molecular weight of 178.94 g/mol.

Molecular Properties

Compound NameCID 160613534
PubChem CID160613534
Molecular FormulaC11H24B2
Molecular Weight178.94 g/mol
Exact Mass179.21
IUPAC Name—
SMILES[2H]C([B])C(C)(C)C.[B]C(C)C(C)(C)C
InChIInChI=1S/C6H13B.C5H11B/c1-5(7)6(2,3)4;1-5(2,3)4-6/h5H,1-4H3;4H2,1-3H3/i;4D
InChIKeyUPNTUHWVLKAQPU-VZJQNQEBSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.94
LogP ≤ 53.63
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 160613534?
The IUPAC name of CID 160613534 (CID 160613534) is not available.
What is the SMILES notation for CID 160613534?
The canonical SMILES for CID 160613534 is [2H]C([B])C(C)(C)C.[B]C(C)C(C)(C)C.
What is the InChIKey of CID 160613534?
The InChIKey is UPNTUHWVLKAQPU-VZJQNQEBSA-N. The full InChI is InChI=1S/C6H13B.C5H11B/c1-5(7)6(2,3)4;1-5(2,3)4-6/h5H,1-4H3;4H2,1-3H3/i;4D.
What are the key properties of CID 160613534?
CID 160613534 has a molecular weight of 178.94 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160613534 is sourced from PubChem (CID 160613534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).