CID 88977069

C4H10BIP — CID 88977069

IUPAC—
SMILESCC(C)CP[B]I
InChIInChI=1S/C4H10BIP/c1-4(2)3-7-5-6/h4,7H,3H2,1-2H3
InChIKeyMUBMDKBETFQTOU-UHFFFAOYSA-N
MW226.81 g/mol
LogP2.29
Rot. Bonds3

About CID 88977069

CID 88977069 (PubChem CID 88977069) has the molecular formula C4H10BIP and a molecular weight of 226.81 g/mol.

Molecular Properties

Compound NameCID 88977069
PubChem CID88977069
Molecular FormulaC4H10BIP
Molecular Weight226.81 g/mol
Exact Mass226.97
IUPAC Name—
SMILESCC(C)CP[B]I
InChIInChI=1S/C4H10BIP/c1-4(2)3-7-5-6/h4,7H,3H2,1-2H3
InChIKeyMUBMDKBETFQTOU-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.81
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 88977069?
The IUPAC name of CID 88977069 (CID 88977069) is not available.
What is the SMILES notation for CID 88977069?
The canonical SMILES for CID 88977069 is CC(C)CP[B]I.
What is the InChIKey of CID 88977069?
The InChIKey is MUBMDKBETFQTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BIP/c1-4(2)3-7-5-6/h4,7H,3H2,1-2H3.
What are the key properties of CID 88977069?
CID 88977069 has a molecular weight of 226.81 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88977069 is sourced from PubChem (CID 88977069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).