CID 58960279

C4H8BO2P — CID 58960279

IUPAC—
SMILES[B]C(=O)CP(C)(C)=O
InChIInChI=1S/C4H8BO2P/c1-8(2,7)3-4(5)6/h3H2,1-2H3
InChIKeyOQOBFNCVPOPROP-UHFFFAOYSA-N
MW129.89 g/mol
LogP0.30
Rot. Bonds2

About CID 58960279

CID 58960279 (PubChem CID 58960279) has the molecular formula C4H8BO2P and a molecular weight of 129.89 g/mol.

Molecular Properties

Compound NameCID 58960279
PubChem CID58960279
Molecular FormulaC4H8BO2P
Molecular Weight129.89 g/mol
Exact Mass130.04
IUPAC Name—
SMILES[B]C(=O)CP(C)(C)=O
InChIInChI=1S/C4H8BO2P/c1-8(2,7)3-4(5)6/h3H2,1-2H3
InChIKeyOQOBFNCVPOPROP-UHFFFAOYSA-N
XLogP0.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.89
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58960279?
The IUPAC name of CID 58960279 (CID 58960279) is not available.
What is the SMILES notation for CID 58960279?
The canonical SMILES for CID 58960279 is [B]C(=O)CP(C)(C)=O.
What is the InChIKey of CID 58960279?
The InChIKey is OQOBFNCVPOPROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BO2P/c1-8(2,7)3-4(5)6/h3H2,1-2H3.
What are the key properties of CID 58960279?
CID 58960279 has a molecular weight of 129.89 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58960279 is sourced from PubChem (CID 58960279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).