CID 58219183

C3H6BIP — CID 58219183

IUPAC—
SMILESC=CCP[B]I
InChIInChI=1S/C3H6BIP/c1-2-3-6-4-5/h2,6H,1,3H2
InChIKeyNOCQDEVUKLQIFI-UHFFFAOYSA-N
MW210.77 g/mol
LogP1.82
Rot. Bonds3

About CID 58219183

CID 58219183 (PubChem CID 58219183) has the molecular formula C3H6BIP and a molecular weight of 210.77 g/mol.

Molecular Properties

Compound NameCID 58219183
PubChem CID58219183
Molecular FormulaC3H6BIP
Molecular Weight210.77 g/mol
Exact Mass210.93
IUPAC Name—
SMILESC=CCP[B]I
InChIInChI=1S/C3H6BIP/c1-2-3-6-4-5/h2,6H,1,3H2
InChIKeyNOCQDEVUKLQIFI-UHFFFAOYSA-N
XLogP1.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.77
LogP ≤ 51.82
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[Iodo(prop-2-enyl)boranyl]phosphane
CID 58825110
[Iodo(prop-2-enyl)boranyl]phosphane
CID 58957384
Iodo(prop-2-enyl)phosphane
CID 89615769
Prop-2-enylphosphane;hydroiodide
CID 89615770
CID 123893533
CID 123893533
CID 173499702
CID 173499702
CID 173841695
CID 173841695

Frequently Asked Questions

What is the IUPAC name of CID 58219183?
The IUPAC name of CID 58219183 (CID 58219183) is not available.
What is the SMILES notation for CID 58219183?
The canonical SMILES for CID 58219183 is C=CCP[B]I.
What is the InChIKey of CID 58219183?
The InChIKey is NOCQDEVUKLQIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BIP/c1-2-3-6-4-5/h2,6H,1,3H2.
What are the key properties of CID 58219183?
CID 58219183 has a molecular weight of 210.77 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58219183 is sourced from PubChem (CID 58219183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).