CID 161256128

C4H8B — CID 161256128

IUPAC—
SMILESCC=CC.[B]
InChIInChI=1S/C4H8.B/c1-3-4-2;/h3-4H,1-2H3;
InChIKeyRHNAKIXKHLVIMN-UHFFFAOYSA-N
MW66.92 g/mol
LogP1.20
Rot. Bonds

About CID 161256128

CID 161256128 (PubChem CID 161256128) has the molecular formula C4H8B and a molecular weight of 66.92 g/mol.

Molecular Properties

Compound NameCID 161256128
PubChem CID161256128
Molecular FormulaC4H8B
Molecular Weight66.92 g/mol
Exact Mass67.07
IUPAC Name—
SMILESCC=CC.[B]
InChIInChI=1S/C4H8.B/c1-3-4-2;/h3-4H,1-2H3;
InChIKeyRHNAKIXKHLVIMN-UHFFFAOYSA-N
XLogP1.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.92
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 161256128?
The IUPAC name of CID 161256128 (CID 161256128) is not available.
What is the SMILES notation for CID 161256128?
The canonical SMILES for CID 161256128 is CC=CC.[B].
What is the InChIKey of CID 161256128?
The InChIKey is RHNAKIXKHLVIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.B/c1-3-4-2;/h3-4H,1-2H3;.
What are the key properties of CID 161256128?
CID 161256128 has a molecular weight of 66.92 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161256128 is sourced from PubChem (CID 161256128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).