CID 11846063

C15H19BP — CID 11846063

IUPAC—
SMILESC=C(C1=CCCCC1)P(C)c1ccccc1.[B]
InChIInChI=1S/C15H19P.B/c1-13(14-9-5-3-6-10-14)16(2)15-11-7-4-8-12-15;/h4,7-9,11-12H,1,3,5-6,10H2,2H3;
InChIKeyOFZGBVYEBYAMRO-UHFFFAOYSA-N
MW241.10 g/mol
LogP4.06
Rot. Bonds3

About CID 11846063

CID 11846063 (PubChem CID 11846063) has the molecular formula C15H19BP and a molecular weight of 241.10 g/mol.

Molecular Properties

Compound NameCID 11846063
PubChem CID11846063
Molecular FormulaC15H19BP
Molecular Weight241.10 g/mol
Exact Mass241.13
IUPAC Name—
SMILESC=C(C1=CCCCC1)P(C)c1ccccc1.[B]
InChIInChI=1S/C15H19P.B/c1-13(14-9-5-3-6-10-14)16(2)15-11-7-4-8-12-15;/h4,7-9,11-12H,1,3,5-6,10H2,2H3;
InChIKeyOFZGBVYEBYAMRO-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 11846063?
The IUPAC name of CID 11846063 (CID 11846063) is not available.
What is the SMILES notation for CID 11846063?
The canonical SMILES for CID 11846063 is C=C(C1=CCCCC1)P(C)c1ccccc1.[B].
What is the InChIKey of CID 11846063?
The InChIKey is OFZGBVYEBYAMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19P.B/c1-13(14-9-5-3-6-10-14)16(2)15-11-7-4-8-12-15;/h4,7-9,11-12H,1,3,5-6,10H2,2H3;.
What are the key properties of CID 11846063?
CID 11846063 has a molecular weight of 241.10 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11846063 is sourced from PubChem (CID 11846063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).