icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium

C61H123PV — CID 20744672

IUPACicosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium
SMILESC=CCC(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCPCCCCCCCCCCCCCCCCCCCC.[V]
InChIInChI=1S/C61H123P.V/c1-4-7-9-11-13-15-17-19-20-21-27-30-34-38-42-46-50-54-59-62-60-55-51-47-43-39-35-31-28-25-23-22-24-26-29-33-37-41-45-49-53-58-61(56-6-3)57-52-48-44-40-36-32-18-16-14-12-10-8-5-2;/h6,61-62H,3-5,7-60H2,1-2H3;
InChIKeyXSTDCGVZASZVHT-UHFFFAOYSA-N
MW938.57 g/mol
LogP23.57
Rot. Bonds58

About icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium

icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium (PubChem CID 20744672) has the molecular formula C61H123PV and a molecular weight of 938.57 g/mol. Its IUPAC name is icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium.

Molecular Properties

Compound Nameicosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium
PubChem CID20744672
Molecular FormulaC61H123PV
Molecular Weight938.57 g/mol
Exact Mass937.88
IUPAC Nameicosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium
SMILESC=CCC(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCPCCCCCCCCCCCCCCCCCCCC.[V]
InChIInChI=1S/C61H123P.V/c1-4-7-9-11-13-15-17-19-20-21-27-30-34-38-42-46-50-54-59-62-60-55-51-47-43-39-35-31-28-25-23-22-24-26-29-33-37-41-45-49-53-58-61(56-6-3)57-52-48-44-40-36-32-18-16-14-12-10-8-5-2;/h6,61-62H,3-5,7-60H2,1-2H3;
InChIKeyXSTDCGVZASZVHT-UHFFFAOYSA-N
XLogP23.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds58
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.57
LogP ≤ 523.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

17-prop-2-enyltetratriacontane
CID 173452630
4-prop-2-enylpentadec-1-ene
CID 54427529
5-prop-2-enyldodecanoic acid
CID 90887636
6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane;vanadium
CID 20723720
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
4-(propoxymethyl)dodec-1-ene
CID 71378580
(4S)-4-ethyloct-1-ene
CID 129373406
7-prop-2-enyldodec-4-ene
CID 173342323
3-prop-2-enylnonadecylbenzene
CID 173349260
6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane
CID 20723721
7-pentyltridec-1-ene
CID 123620244

Frequently Asked Questions

What is the IUPAC name of icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium?
The IUPAC name of icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium (CID 20744672) is icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium.
What is the SMILES notation for icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium?
The canonical SMILES for icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium is C=CCC(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCPCCCCCCCCCCCCCCCCCCCC.[V].
What is the InChIKey of icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium?
The InChIKey is XSTDCGVZASZVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H123P.V/c1-4-7-9-11-13-15-17-19-20-21-27-30-34-38-42-46-50-54-59-62-60-55-51-47-43-39-35-31-28-25-23-22-24-26-29-33-37-41-45-49-53-58-61(56-6-3)57-52-48-44-40-36-32-18-16-14-12-10-8-5-2;/h6,61-62H,3-5,7-60H2,1-2H3;.
What are the key properties of icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium?
icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium has a molecular weight of 938.57 g/mol, XLogP of 23.57, 58 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium is sourced from PubChem (CID 20744672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).