bis[(E)-triacont-1-enyl]phosphane

C60H119P — CID 21096765

IUPACbis[(E)-triacont-1-enyl]phosphane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/P/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C60H119P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h57-61H,3-56H2,1-2H3/b59-57+,60-58+
InChIKeyBUZMQJXDNDKHJK-YGZNCWGHSA-N
MW871.59 g/mol
LogP23.80
Rot. Bonds56

About bis[(E)-triacont-1-enyl]phosphane

bis[(E)-triacont-1-enyl]phosphane (PubChem CID 21096765) has the molecular formula C60H119P and a molecular weight of 871.59 g/mol. Its IUPAC name is bis[(E)-triacont-1-enyl]phosphane.

Molecular Properties

Compound Namebis[(E)-triacont-1-enyl]phosphane
PubChem CID21096765
Molecular FormulaC60H119P
Molecular Weight871.59 g/mol
Exact Mass870.90
IUPAC Namebis[(E)-triacont-1-enyl]phosphane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/P/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C60H119P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h57-61H,3-56H2,1-2H3/b59-57+,60-58+
InChIKeyBUZMQJXDNDKHJK-YGZNCWGHSA-N
XLogP23.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds56
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.59
LogP ≤ 523.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis[(E)-dodec-1-enyl]phosphane
CID 21096723
undec-1-enyl(undec-1-enylphosphanyl)phosphane
CID 90919459
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178

Frequently Asked Questions

What is the IUPAC name of bis[(E)-triacont-1-enyl]phosphane?
The IUPAC name of bis[(E)-triacont-1-enyl]phosphane (CID 21096765) is bis[(E)-triacont-1-enyl]phosphane.
What is the SMILES notation for bis[(E)-triacont-1-enyl]phosphane?
The canonical SMILES for bis[(E)-triacont-1-enyl]phosphane is CCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/P/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of bis[(E)-triacont-1-enyl]phosphane?
The InChIKey is BUZMQJXDNDKHJK-YGZNCWGHSA-N. The full InChI is InChI=1S/C60H119P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h57-61H,3-56H2,1-2H3/b59-57+,60-58+.
What are the key properties of bis[(E)-triacont-1-enyl]phosphane?
bis[(E)-triacont-1-enyl]phosphane has a molecular weight of 871.59 g/mol, XLogP of 23.80, 56 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(E)-triacont-1-enyl]phosphane is sourced from PubChem (CID 21096765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).