CID 123558206

C5H13B — CID 123558206

IUPAC—
SMILESCCCC.[B]C
InChIInChI=1S/C4H10.CH3B/c1-3-4-2;1-2/h3-4H2,1-2H3;1H3
InChIKeyUTAJTHKKJCPRRL-UHFFFAOYSA-N
MW83.97 g/mol
LogP2.01
Rot. Bonds1

About CID 123558206

CID 123558206 (PubChem CID 123558206) has the molecular formula C5H13B and a molecular weight of 83.97 g/mol.

Molecular Properties

Compound NameCID 123558206
PubChem CID123558206
Molecular FormulaC5H13B
Molecular Weight83.97 g/mol
Exact Mass84.11
IUPAC Name—
SMILESCCCC.[B]C
InChIInChI=1S/C4H10.CH3B/c1-3-4-2;1-2/h3-4H2,1-2H3;1H3
InChIKeyUTAJTHKKJCPRRL-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.97
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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butane;lanthanum
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butane;methane
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Frequently Asked Questions

What is the IUPAC name of CID 123558206?
The IUPAC name of CID 123558206 (CID 123558206) is not available.
What is the SMILES notation for CID 123558206?
The canonical SMILES for CID 123558206 is CCCC.[B]C.
What is the InChIKey of CID 123558206?
The InChIKey is UTAJTHKKJCPRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.CH3B/c1-3-4-2;1-2/h3-4H2,1-2H3;1H3.
What are the key properties of CID 123558206?
CID 123558206 has a molecular weight of 83.97 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123558206 is sourced from PubChem (CID 123558206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).