CID 174078311

C11H15BI — CID 174078311

IUPAC—
SMILESCCCC(C)c1ccccc1[B]I
InChIInChI=1S/C11H15BI/c1-3-6-9(2)10-7-4-5-8-11(10)12-13/h4-5,7-9H,3,6H2,1-2H3
InChIKeyZZFNAZMCLZHWQR-UHFFFAOYSA-N
MW284.96 g/mol
LogP3.27
Rot. Bonds4

About CID 174078311

CID 174078311 (PubChem CID 174078311) has the molecular formula C11H15BI and a molecular weight of 284.96 g/mol.

Molecular Properties

Compound NameCID 174078311
PubChem CID174078311
Molecular FormulaC11H15BI
Molecular Weight284.96 g/mol
Exact Mass285.03
IUPAC Name—
SMILESCCCC(C)c1ccccc1[B]I
InChIInChI=1S/C11H15BI/c1-3-6-9(2)10-7-4-5-8-11(10)12-13/h4-5,7-9H,3,6H2,1-2H3
InChIKeyZZFNAZMCLZHWQR-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.96
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-methyl-2-(2-pentan-2-ylphenyl)benzene
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pentan-2-ylbenzene
CID 17627
dimethyl-bis(2-pentan-2-ylphenoxy)stannane
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CID 68993788
2-chloro-1-fluoro-3-pentan-2-ylbenzene
CID 166688461
1-pentan-2-yl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 91254497
benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane
CID 158347647
1-pentan-2-yl-3,5-dipentyl-2-phenylbenzene
CID 123204359
3-(2-chlorophenyl)-N-propylbutan-1-amine
CID 81019163

Frequently Asked Questions

What is the IUPAC name of CID 174078311?
The IUPAC name of CID 174078311 (CID 174078311) is not available.
What is the SMILES notation for CID 174078311?
The canonical SMILES for CID 174078311 is CCCC(C)c1ccccc1[B]I.
What is the InChIKey of CID 174078311?
The InChIKey is ZZFNAZMCLZHWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BI/c1-3-6-9(2)10-7-4-5-8-11(10)12-13/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of CID 174078311?
CID 174078311 has a molecular weight of 284.96 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174078311 is sourced from PubChem (CID 174078311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).