bromo-but-3-enyl-tributyl-λ5-phosphane

C16H34BrP — CID 139647891

IUPACbromo-but-3-enyl-tributyl-λ5-phosphane
SMILESC=CCCP(Br)(CCCC)(CCCC)CCCC
InChIInChI=1S/C16H34BrP/c1-5-9-13-18(17,14-10-6-2,15-11-7-3)16-12-8-4/h5H,1,6-16H2,2-4H3
InChIKeyYLCSEIFLSFTPMB-UHFFFAOYSA-N
MW337.33 g/mol
LogP6.83
Rot. Bonds12

About bromo-but-3-enyl-tributyl-λ5-phosphane

bromo-but-3-enyl-tributyl-λ5-phosphane (PubChem CID 139647891) has the molecular formula C16H34BrP and a molecular weight of 337.33 g/mol. Its IUPAC name is bromo-but-3-enyl-tributyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-but-3-enyl-tributyl-λ5-phosphane
PubChem CID139647891
Molecular FormulaC16H34BrP
Molecular Weight337.33 g/mol
Exact Mass336.16
IUPAC Namebromo-but-3-enyl-tributyl-λ5-phosphane
SMILESC=CCCP(Br)(CCCC)(CCCC)CCCC
InChIInChI=1S/C16H34BrP/c1-5-9-13-18(17,14-10-6-2,15-11-7-3)16-12-8-4/h5H,1,6-16H2,2-4H3
InChIKeyYLCSEIFLSFTPMB-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.33
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bromo-but-3-enyl-tributyl-λ5-phosphane 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

bromo-dibutyl-dipentyl-λ5-phosphane
CID 140528033
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
hept-1-ene;polane
CID 173465915
oct-1-ene;tetrahydrochloride
CID 172847494
oct-1-ene;hydrobromide
CID 88838560
dec-1-ene;ethene
CID 161044144
dodec-1-ene;ethene
CID 158697165

Frequently Asked Questions

What is the IUPAC name of bromo-but-3-enyl-tributyl-λ5-phosphane?
The IUPAC name of bromo-but-3-enyl-tributyl-λ5-phosphane (CID 139647891) is bromo-but-3-enyl-tributyl-λ5-phosphane.
What is the SMILES notation for bromo-but-3-enyl-tributyl-λ5-phosphane?
The canonical SMILES for bromo-but-3-enyl-tributyl-λ5-phosphane is C=CCCP(Br)(CCCC)(CCCC)CCCC.
What is the InChIKey of bromo-but-3-enyl-tributyl-λ5-phosphane?
The InChIKey is YLCSEIFLSFTPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34BrP/c1-5-9-13-18(17,14-10-6-2,15-11-7-3)16-12-8-4/h5H,1,6-16H2,2-4H3.
What are the key properties of bromo-but-3-enyl-tributyl-λ5-phosphane?
bromo-but-3-enyl-tributyl-λ5-phosphane has a molecular weight of 337.33 g/mol, XLogP of 6.83, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-but-3-enyl-tributyl-λ5-phosphane is sourced from PubChem (CID 139647891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).