CID 58152608

C6H10BIP+ — CID 58152608

IUPAC—
SMILES[B][P+](I)(CC=C)CC=C
InChIInChI=1S/C6H10BIP/c1-3-5-9(7,8)6-4-2/h3-4H,1-2,5-6H2/q+1
InChIKeyAVKBLGPUPDDHPI-UHFFFAOYSA-N
MW250.84 g/mol
LogP2.81
Rot. Bonds4

About CID 58152608

CID 58152608 (PubChem CID 58152608) has the molecular formula C6H10BIP+ and a molecular weight of 250.84 g/mol.

Molecular Properties

Compound NameCID 58152608
PubChem CID58152608
Molecular FormulaC6H10BIP+
Molecular Weight250.84 g/mol
Exact Mass250.97
IUPAC Name—
SMILES[B][P+](I)(CC=C)CC=C
InChIInChI=1S/C6H10BIP/c1-3-5-9(7,8)6-4-2/h3-4H,1-2,5-6H2/q+1
InChIKeyAVKBLGPUPDDHPI-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.84
LogP ≤ 52.81
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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Related Compounds

CID 134885972
CID 134885972
CID 20645184
CID 20645184
CID 90089857
CID 90089857
CID 123893533
CID 123893533
iodo-methyl-[(E)-prop-1-enyl]phosphane
CID 146478262
CID 21576343
CID 21576343
CID 135048899
CID 135048899

Frequently Asked Questions

What is the IUPAC name of CID 58152608?
The IUPAC name of CID 58152608 (CID 58152608) is not available.
What is the SMILES notation for CID 58152608?
The canonical SMILES for CID 58152608 is [B][P+](I)(CC=C)CC=C.
What is the InChIKey of CID 58152608?
The InChIKey is AVKBLGPUPDDHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BIP/c1-3-5-9(7,8)6-4-2/h3-4H,1-2,5-6H2/q+1.
What are the key properties of CID 58152608?
CID 58152608 has a molecular weight of 250.84 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58152608 is sourced from PubChem (CID 58152608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).