CID 153087147

C4H10BUW- — CID 153087147

IUPAC—
SMILES[B]CC.[CH2-]C.[U].[W]
InChIInChI=1S/C2H5B.C2H5.U.W/c1-2-3;1-2;;/h2H2,1H3;1H2,2H3;;/q;-1;;
InChIKeyXDDXZJTZFSJHJL-UHFFFAOYSA-N
MW490.81 g/mol
LogP1.43
Rot. Bonds

About CID 153087147

CID 153087147 (PubChem CID 153087147) has the molecular formula C4H10BUW- and a molecular weight of 490.81 g/mol.

Molecular Properties

Compound NameCID 153087147
PubChem CID153087147
Molecular FormulaC4H10BUW-
Molecular Weight490.81 g/mol
Exact Mass491.09
IUPAC Name—
SMILES[B]CC.[CH2-]C.[U].[W]
InChIInChI=1S/C2H5B.C2H5.U.W/c1-2-3;1-2;;/h2H2,1H3;1H2,2H3;;/q;-1;;
InChIKeyXDDXZJTZFSJHJL-UHFFFAOYSA-N
XLogP1.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.81
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 167595787
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CID 159906494
butane;ethane;titanium(2+)
CID 154083235
bis(3-methanidylpentane);tungsten(2+)
CID 58814797

Frequently Asked Questions

What is the IUPAC name of CID 153087147?
The IUPAC name of CID 153087147 (CID 153087147) is not available.
What is the SMILES notation for CID 153087147?
The canonical SMILES for CID 153087147 is [B]CC.[CH2-]C.[U].[W].
What is the InChIKey of CID 153087147?
The InChIKey is XDDXZJTZFSJHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5B.C2H5.U.W/c1-2-3;1-2;;/h2H2,1H3;1H2,2H3;;/q;-1;;.
What are the key properties of CID 153087147?
CID 153087147 has a molecular weight of 490.81 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153087147 is sourced from PubChem (CID 153087147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).