CID 174120508

C4H8BO2P3 — CID 174120508

IUPAC—
SMILES[B]C1(P)CC(=O)OC1(P)P
InChIInChI=1S/C4H8BO2P3/c5-3(8)1-2(6)7-4(3,9)10/h1,8-10H2
InChIKeyAMCWJRROBNSJSX-UHFFFAOYSA-N
MW191.84 g/mol
LogP0.08
Rot. Bonds

About CID 174120508

CID 174120508 (PubChem CID 174120508) has the molecular formula C4H8BO2P3 and a molecular weight of 191.84 g/mol.

Molecular Properties

Compound NameCID 174120508
PubChem CID174120508
Molecular FormulaC4H8BO2P3
Molecular Weight191.84 g/mol
Exact Mass191.98
IUPAC Name—
SMILES[B]C1(P)CC(=O)OC1(P)P
InChIInChI=1S/C4H8BO2P3/c5-3(8)1-2(6)7-4(3,9)10/h1,8-10H2
InChIKeyAMCWJRROBNSJSX-UHFFFAOYSA-N
XLogP0.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.84
LogP ≤ 50.08
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 174120508?
The IUPAC name of CID 174120508 (CID 174120508) is not available.
What is the SMILES notation for CID 174120508?
The canonical SMILES for CID 174120508 is [B]C1(P)CC(=O)OC1(P)P.
What is the InChIKey of CID 174120508?
The InChIKey is AMCWJRROBNSJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BO2P3/c5-3(8)1-2(6)7-4(3,9)10/h1,8-10H2.
What are the key properties of CID 174120508?
CID 174120508 has a molecular weight of 191.84 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174120508 is sourced from PubChem (CID 174120508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).