bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane

C24H26BrP — CID 14336617

IUPACbromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane
SMILESCC(C)=CCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26BrP/c1-21(2)13-12-20-26(25,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,13-19H,12,20H2,1-2H3
InChIKeyAZRNAHWMXBSQRA-UHFFFAOYSA-N
MW425.35 g/mol
LogP6.18
Rot. Bonds6

About bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane

bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane (PubChem CID 14336617) has the molecular formula C24H26BrP and a molecular weight of 425.35 g/mol. Its IUPAC name is bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Namebromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane
PubChem CID14336617
Molecular FormulaC24H26BrP
Molecular Weight425.35 g/mol
Exact Mass424.10
IUPAC Namebromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane
SMILESCC(C)=CCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26BrP/c1-21(2)13-12-20-26(25,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,13-19H,12,20H2,1-2H3
InChIKeyAZRNAHWMXBSQRA-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.35
LogP ≤ 56.18
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'}

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Related Compounds

bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane
CID 13026386
methyl 6-[bromo(triphenyl)-λ5-phosphanyl]hex-2-enoate
CID 76714897
methyl 4-[bromo(triphenyl)-lambda5-phosphanyl]butanoate
CID 14603913
bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane
CID 140774468
20-[bromo(triphenyl)-λ5-phosphanyl]icosanoic acid
CID 174180824
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine
CID 140662780
bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane
CID 13328743
bromo-triphenyl-prop-2-enyl-λ5-phosphane
CID 171779697
1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one
CID 15016567
6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid
CID 13457318
dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane
CID 175455396

Frequently Asked Questions

What is the IUPAC name of bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane?
The IUPAC name of bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane (CID 14336617) is bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane.
What is the SMILES notation for bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane?
The canonical SMILES for bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane is CC(C)=CCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane?
The InChIKey is AZRNAHWMXBSQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrP/c1-21(2)13-12-20-26(25,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,13-19H,12,20H2,1-2H3.
What are the key properties of bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane?
bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane has a molecular weight of 425.35 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane is sourced from PubChem (CID 14336617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).