dibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium

C72H148P+ — CID 86611036

IUPACdibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium
SMILESCCCCCCCCCCC(C)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)[P+](CCCC)(CCCC)CCCCCCCCCC
InChIInChI=1S/C72H148P/c1-10-18-26-32-38-44-50-56-62-70(9)71(63-57-51-45-39-33-27-19-11-2,64-58-52-46-40-34-28-20-12-3)72(65-59-53-47-41-35-29-21-13-4,66-60-54-48-42-36-30-22-14-5)73(67-24-16-7,68-25-17-8)69-61-55-49-43-37-31-23-15-6/h70H,10-69H2,1-9H3/q+1
InChIKeyXEPXXADGWNKOBY-UHFFFAOYSA-N
MW1044.95 g/mol
LogP27.76
Rot. Bonds63

About dibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium

dibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium (PubChem CID 86611036) has the molecular formula C72H148P+ and a molecular weight of 1044.95 g/mol. Its IUPAC name is dibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium.

Molecular Properties

Compound Namedibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium
PubChem CID86611036
Molecular FormulaC72H148P+
Molecular Weight1044.95 g/mol
Exact Mass1044.13
IUPAC Namedibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium
SMILESCCCCCCCCCCC(C)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)[P+](CCCC)(CCCC)CCCCCCCCCC
InChIInChI=1S/C72H148P/c1-10-18-26-32-38-44-50-56-62-70(9)71(63-57-51-45-39-33-27-19-11-2,64-58-52-46-40-34-28-20-12-3)72(65-59-53-47-41-35-29-21-13-4,66-60-54-48-42-36-30-22-14-5)73(67-24-16-7,68-25-17-8)69-61-55-49-43-37-31-23-15-6/h70H,10-69H2,1-9H3/q+1
InChIKeyXEPXXADGWNKOBY-UHFFFAOYSA-N
XLogP27.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds63
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.95
LogP ≤ 527.76
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

13-decyl-11-methyl-12-nonyl-12-octyl-13-undecylpentacosane
CID 141153698
12-chloro-13-methyl-12-undecyltetracosane
CID 88839941
13-chloro-13-dodecyl-14-methylhexacosane
CID 88839869
azane;7-chloro-7-hexyl-8-methyltetradecane
CID 88840314
(8-methyl-7-phosphanyltetradecan-7-yl)phosphane
CID 174915942
11,12-dimethylheptacosan-11-amine
CID 174255229
(10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide
CID 173157963
9-butyl-10-methyloctadecan-9-ol
CID 173066845
9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane
CID 141081090
2,2,3-trimethylundecane
CID 21285055
2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
CID 18444100
7,7-dimethoxy-8-methylhexadecane
CID 150332936

Frequently Asked Questions

What is the IUPAC name of dibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium?
The IUPAC name of dibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium (CID 86611036) is dibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium.
What is the SMILES notation for dibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium?
The canonical SMILES for dibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium is CCCCCCCCCCC(C)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)[P+](CCCC)(CCCC)CCCCCCCCCC.
What is the InChIKey of dibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium?
The InChIKey is XEPXXADGWNKOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H148P/c1-10-18-26-32-38-44-50-56-62-70(9)71(63-57-51-45-39-33-27-19-11-2,64-58-52-46-40-34-28-20-12-3)72(65-59-53-47-41-35-29-21-13-4,66-60-54-48-42-36-30-22-14-5)73(67-24-16-7,68-25-17-8)69-61-55-49-43-37-31-23-15-6/h70H,10-69H2,1-9H3/q+1.
What are the key properties of dibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium?
dibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium has a molecular weight of 1044.95 g/mol, XLogP of 27.76, 63 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-decyl-(11,12,12-tris-decyl-13-methyltricosan-11-yl)phosphanium is sourced from PubChem (CID 86611036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).