lithium;4-bromobutylbenzene;hydride

C10H14BrLi — CID 175042628

IUPAClithium;4-bromobutylbenzene;hydride
SMILESBrCCCCc1ccccc1.[H-].[Li+]
InChIInChI=1S/C10H13Br.Li.H/c11-9-5-4-8-10-6-2-1-3-7-10;;/h1-3,6-7H,4-5,8-9H2;;/q;+1;-1
InChIKeyHYBQSWQSVZFRMS-UHFFFAOYSA-N
MW221.07 g/mol
LogP0.52
Rot. Bonds4

About lithium;4-bromobutylbenzene;hydride

lithium;4-bromobutylbenzene;hydride (PubChem CID 175042628) has the molecular formula C10H14BrLi and a molecular weight of 221.07 g/mol. Its IUPAC name is lithium;4-bromobutylbenzene;hydride.

Molecular Properties

Compound Namelithium;4-bromobutylbenzene;hydride
PubChem CID175042628
Molecular FormulaC10H14BrLi
Molecular Weight221.07 g/mol
Exact Mass220.04
IUPAC Namelithium;4-bromobutylbenzene;hydride
SMILESBrCCCCc1ccccc1.[H-].[Li+]
InChIInChI=1S/C10H13Br.Li.H/c11-9-5-4-8-10-6-2-1-3-7-10;;/h1-3,6-7H,4-5,8-9H2;;/q;+1;-1
InChIKeyHYBQSWQSVZFRMS-UHFFFAOYSA-N
XLogP0.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze lithium;4-bromobutylbenzene;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenylbutylbenzene
CID 141301927
4-(8-bromooctoxy)butylbenzene
CID 67807190
1,4-bis(8-bromooctyl)benzene
CID 19907449
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
3-bromopropylbenzene;6-phenylhexan-1-ol
CID 157464823
4-bromo-N-(3-phenylpropyl)butan-1-amine
CID 106844820
CID 159131095
CID 159131095
1,4-bis(3-phenylpropyl)benzene
CID 59467322
pentylbenzene
CID 91255123
4-chlorobutylbenzene;ethane
CID 142108519
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220

Frequently Asked Questions

What is the IUPAC name of lithium;4-bromobutylbenzene;hydride?
The IUPAC name of lithium;4-bromobutylbenzene;hydride (CID 175042628) is lithium;4-bromobutylbenzene;hydride.
What is the SMILES notation for lithium;4-bromobutylbenzene;hydride?
The canonical SMILES for lithium;4-bromobutylbenzene;hydride is BrCCCCc1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;4-bromobutylbenzene;hydride?
The InChIKey is HYBQSWQSVZFRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br.Li.H/c11-9-5-4-8-10-6-2-1-3-7-10;;/h1-3,6-7H,4-5,8-9H2;;/q;+1;-1.
What are the key properties of lithium;4-bromobutylbenzene;hydride?
lithium;4-bromobutylbenzene;hydride has a molecular weight of 221.07 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4-bromobutylbenzene;hydride is sourced from PubChem (CID 175042628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).