CID 160734919

C13H43B — CID 160734919

IUPAC—
SMILESC.C.C.C.C.C.C.C.[B]C(CC)CC
InChIInChI=1S/C5H11B.8CH4/c1-3-5(6)4-2;;;;;;;;/h5H,3-4H2,1-2H3;8*1H4
InChIKeyUHHWJZGHAPHLNJ-UHFFFAOYSA-N
MW210.30 g/mol
LogP6.85
Rot. Bonds2

About CID 160734919

CID 160734919 (PubChem CID 160734919) has the molecular formula C13H43B and a molecular weight of 210.30 g/mol.

Molecular Properties

Compound NameCID 160734919
PubChem CID160734919
Molecular FormulaC13H43B
Molecular Weight210.30 g/mol
Exact Mass210.35
IUPAC Name—
SMILESC.C.C.C.C.C.C.C.[B]C(CC)CC
InChIInChI=1S/C5H11B.8CH4/c1-3-5(6)4-2;;;;;;;;/h5H,3-4H2,1-2H3;8*1H4
InChIKeyUHHWJZGHAPHLNJ-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.30
LogP ≤ 56.85
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 160734919?
The IUPAC name of CID 160734919 (CID 160734919) is not available.
What is the SMILES notation for CID 160734919?
The canonical SMILES for CID 160734919 is C.C.C.C.C.C.C.C.[B]C(CC)CC.
What is the InChIKey of CID 160734919?
The InChIKey is UHHWJZGHAPHLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11B.8CH4/c1-3-5(6)4-2;;;;;;;;/h5H,3-4H2,1-2H3;8*1H4.
What are the key properties of CID 160734919?
CID 160734919 has a molecular weight of 210.30 g/mol, XLogP of 6.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160734919 is sourced from PubChem (CID 160734919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).