CID 54253444

C15H24B — CID 54253444

IUPAC—
SMILESC[B]c1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C15H24B/c1-14(2,3)11-9-8-10-12(13(11)16-7)15(4,5)6/h8-10H,1-7H3
InChIKeyMQFGSLHXOXEFIM-UHFFFAOYSA-N
MW215.17 g/mol
LogP3.66
Rot. Bonds1

About CID 54253444

CID 54253444 (PubChem CID 54253444) has the molecular formula C15H24B and a molecular weight of 215.17 g/mol.

Molecular Properties

Compound NameCID 54253444
PubChem CID54253444
Molecular FormulaC15H24B
Molecular Weight215.17 g/mol
Exact Mass215.20
IUPAC Name—
SMILESC[B]c1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C15H24B/c1-14(2,3)11-9-8-10-12(13(11)16-7)15(4,5)6/h8-10H,1-7H3
InChIKeyMQFGSLHXOXEFIM-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 54253444?
The IUPAC name of CID 54253444 (CID 54253444) is not available.
What is the SMILES notation for CID 54253444?
The canonical SMILES for CID 54253444 is C[B]c1c(C(C)(C)C)cccc1C(C)(C)C.
What is the InChIKey of CID 54253444?
The InChIKey is MQFGSLHXOXEFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24B/c1-14(2,3)11-9-8-10-12(13(11)16-7)15(4,5)6/h8-10H,1-7H3.
What are the key properties of CID 54253444?
CID 54253444 has a molecular weight of 215.17 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54253444 is sourced from PubChem (CID 54253444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).