CID 162002766

C12H33B — CID 162002766

IUPAC—
SMILESC.CC.CC(C)(C)C.CCC.[B]C
InChIInChI=1S/C5H12.C3H8.C2H6.CH3B.CH4/c1-5(2,3)4;1-3-2;2*1-2;/h1-4H3;3H2,1-2H3;1-2H3;1H3;1H4
InChIKeyCCQVQOJYKNCZIJ-UHFFFAOYSA-N
MW188.21 g/mol
LogP5.33
Rot. Bonds

About CID 162002766

CID 162002766 (PubChem CID 162002766) has the molecular formula C12H33B and a molecular weight of 188.21 g/mol.

Molecular Properties

Compound NameCID 162002766
PubChem CID162002766
Molecular FormulaC12H33B
Molecular Weight188.21 g/mol
Exact Mass188.27
IUPAC Name—
SMILESC.CC.CC(C)(C)C.CCC.[B]C
InChIInChI=1S/C5H12.C3H8.C2H6.CH3B.CH4/c1-5(2,3)4;1-3-2;2*1-2;/h1-4H3;3H2,1-2H3;1-2H3;1H3;1H4
InChIKeyCCQVQOJYKNCZIJ-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.21
LogP ≤ 55.33
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 162002766?
The IUPAC name of CID 162002766 (CID 162002766) is not available.
What is the SMILES notation for CID 162002766?
The canonical SMILES for CID 162002766 is C.CC.CC(C)(C)C.CCC.[B]C.
What is the InChIKey of CID 162002766?
The InChIKey is CCQVQOJYKNCZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H8.C2H6.CH3B.CH4/c1-5(2,3)4;1-3-2;2*1-2;/h1-4H3;3H2,1-2H3;1-2H3;1H3;1H4.
What are the key properties of CID 162002766?
CID 162002766 has a molecular weight of 188.21 g/mol, XLogP of 5.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162002766 is sourced from PubChem (CID 162002766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).