CID 50905672

C11H21BO2P — CID 50905672

IUPAC—
SMILESCCOP(C=C1CCCCC1)OCC.[B]
InChIInChI=1S/C11H21O2P.B/c1-3-12-14(13-4-2)10-11-8-6-5-7-9-11;/h10H,3-9H2,1-2H3;
InChIKeyCJPFLZKZGXUBOF-UHFFFAOYSA-N
MW227.07 g/mol
LogP3.84
Rot. Bonds5

About CID 50905672

CID 50905672 (PubChem CID 50905672) has the molecular formula C11H21BO2P and a molecular weight of 227.07 g/mol.

Molecular Properties

Compound NameCID 50905672
PubChem CID50905672
Molecular FormulaC11H21BO2P
Molecular Weight227.07 g/mol
Exact Mass227.14
IUPAC Name—
SMILESCCOP(C=C1CCCCC1)OCC.[B]
InChIInChI=1S/C11H21O2P.B/c1-3-12-14(13-4-2)10-11-8-6-5-7-9-11;/h10H,3-9H2,1-2H3;
InChIKeyCJPFLZKZGXUBOF-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.07
LogP ≤ 53.84
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 50905672?
The IUPAC name of CID 50905672 (CID 50905672) is not available.
What is the SMILES notation for CID 50905672?
The canonical SMILES for CID 50905672 is CCOP(C=C1CCCCC1)OCC.[B].
What is the InChIKey of CID 50905672?
The InChIKey is CJPFLZKZGXUBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O2P.B/c1-3-12-14(13-4-2)10-11-8-6-5-7-9-11;/h10H,3-9H2,1-2H3;.
What are the key properties of CID 50905672?
CID 50905672 has a molecular weight of 227.07 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 50905672 is sourced from PubChem (CID 50905672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).