CID 159809580

C8H22B — CID 159809580

IUPAC—
SMILESC.C.CCC[B]CCC
InChIInChI=1S/C6H14B.2CH4/c1-3-5-7-6-4-2;;/h3-6H2,1-2H3;2*1H4
InChIKeyCITYTTZTNGZVPX-UHFFFAOYSA-N
MW129.08 g/mol
LogP3.62
Rot. Bonds4

About CID 159809580

CID 159809580 (PubChem CID 159809580) has the molecular formula C8H22B and a molecular weight of 129.08 g/mol.

Molecular Properties

Compound NameCID 159809580
PubChem CID159809580
Molecular FormulaC8H22B
Molecular Weight129.08 g/mol
Exact Mass129.18
IUPAC Name—
SMILESC.C.CCC[B]CCC
InChIInChI=1S/C6H14B.2CH4/c1-3-5-7-6-4-2;;/h3-6H2,1-2H3;2*1H4
InChIKeyCITYTTZTNGZVPX-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.08
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 159809580?
The IUPAC name of CID 159809580 (CID 159809580) is not available.
What is the SMILES notation for CID 159809580?
The canonical SMILES for CID 159809580 is C.C.CCC[B]CCC.
What is the InChIKey of CID 159809580?
The InChIKey is CITYTTZTNGZVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14B.2CH4/c1-3-5-7-6-4-2;;/h3-6H2,1-2H3;2*1H4.
What are the key properties of CID 159809580?
CID 159809580 has a molecular weight of 129.08 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159809580 is sourced from PubChem (CID 159809580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).