CID 90089857

C6H10BIP — CID 90089857

IUPAC—
SMILESC=CC[B]P(I)CC=C
InChIInChI=1S/C6H10BIP/c1-3-5-7-9(8)6-4-2/h3-4H,1-2,5-6H2
InChIKeyVFEUEQQNSIEKDU-UHFFFAOYSA-N
MW250.84 g/mol
LogP3.23
Rot. Bonds5

About CID 90089857

CID 90089857 (PubChem CID 90089857) has the molecular formula C6H10BIP and a molecular weight of 250.84 g/mol.

Molecular Properties

Compound NameCID 90089857
PubChem CID90089857
Molecular FormulaC6H10BIP
Molecular Weight250.84 g/mol
Exact Mass250.97
IUPAC Name—
SMILESC=CC[B]P(I)CC=C
InChIInChI=1S/C6H10BIP/c1-3-5-7-9(8)6-4-2/h3-4H,1-2,5-6H2
InChIKeyVFEUEQQNSIEKDU-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.84
LogP ≤ 53.23
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 90089857?
The IUPAC name of CID 90089857 (CID 90089857) is not available.
What is the SMILES notation for CID 90089857?
The canonical SMILES for CID 90089857 is C=CC[B]P(I)CC=C.
What is the InChIKey of CID 90089857?
The InChIKey is VFEUEQQNSIEKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BIP/c1-3-5-7-9(8)6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of CID 90089857?
CID 90089857 has a molecular weight of 250.84 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90089857 is sourced from PubChem (CID 90089857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).