CID 88552851

C3H8BIP — CID 88552851

IUPAC—
SMILESCCPC[B]I
InChIInChI=1S/C3H8BIP/c1-2-6-3-4-5/h6H,2-3H2,1H3
InChIKeyPXJXLNDAPJQVGY-UHFFFAOYSA-N
MW212.79 g/mol
LogP1.70
Rot. Bonds3

About CID 88552851

CID 88552851 (PubChem CID 88552851) has the molecular formula C3H8BIP and a molecular weight of 212.79 g/mol.

Molecular Properties

Compound NameCID 88552851
PubChem CID88552851
Molecular FormulaC3H8BIP
Molecular Weight212.79 g/mol
Exact Mass212.95
IUPAC Name—
SMILESCCPC[B]I
InChIInChI=1S/C3H8BIP/c1-2-6-3-4-5/h6H,2-3H2,1H3
InChIKeyPXJXLNDAPJQVGY-UHFFFAOYSA-N
XLogP1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.79
LogP ≤ 51.70
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 88552851?
The IUPAC name of CID 88552851 (CID 88552851) is not available.
What is the SMILES notation for CID 88552851?
The canonical SMILES for CID 88552851 is CCPC[B]I.
What is the InChIKey of CID 88552851?
The InChIKey is PXJXLNDAPJQVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8BIP/c1-2-6-3-4-5/h6H,2-3H2,1H3.
What are the key properties of CID 88552851?
CID 88552851 has a molecular weight of 212.79 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88552851 is sourced from PubChem (CID 88552851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).