tetracosyl 3-phosphanylpropanoate

C27H55O2P — CID 88840795

IUPACtetracosyl 3-phosphanylpropanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCP
InChIInChI=1S/C27H55O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-29-27(28)24-26-30/h2-26,30H2,1H3
InChIKeyQHGSFBFFUQBKJR-UHFFFAOYSA-N
MW442.71 g/mol
LogP9.40
Rot. Bonds25

About tetracosyl 3-phosphanylpropanoate

tetracosyl 3-phosphanylpropanoate (PubChem CID 88840795) has the molecular formula C27H55O2P and a molecular weight of 442.71 g/mol. Its IUPAC name is tetracosyl 3-phosphanylpropanoate.

Molecular Properties

Compound Nametetracosyl 3-phosphanylpropanoate
PubChem CID88840795
Molecular FormulaC27H55O2P
Molecular Weight442.71 g/mol
Exact Mass442.39
IUPAC Nametetracosyl 3-phosphanylpropanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCP
InChIInChI=1S/C27H55O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-29-27(28)24-26-30/h2-26,30H2,1H3
InChIKeyQHGSFBFFUQBKJR-UHFFFAOYSA-N
XLogP9.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.71
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

pentyl 3-phosphanylpropanoate
CID 59155334
dihexadecyl butanedioate
CID 3572854
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
1-O-hexyl 10-O-octyl decanedioate
CID 91729377
decyl tridecanoate
CID 54021367
tridecyl heptacosanoate
CID 168953402
hentriacontyl icosanoate
CID 53492809
tridecyl nonadecanoate
CID 161042448
didodecyl heptanedioate
CID 91742004
tetradecyl nonanoate
CID 19767258
7-O-decyl 1-O-heptyl heptanedioate
CID 91718231

Frequently Asked Questions

What is the IUPAC name of tetracosyl 3-phosphanylpropanoate?
The IUPAC name of tetracosyl 3-phosphanylpropanoate (CID 88840795) is tetracosyl 3-phosphanylpropanoate.
What is the SMILES notation for tetracosyl 3-phosphanylpropanoate?
The canonical SMILES for tetracosyl 3-phosphanylpropanoate is CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCP.
What is the InChIKey of tetracosyl 3-phosphanylpropanoate?
The InChIKey is QHGSFBFFUQBKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-29-27(28)24-26-30/h2-26,30H2,1H3.
What are the key properties of tetracosyl 3-phosphanylpropanoate?
tetracosyl 3-phosphanylpropanoate has a molecular weight of 442.71 g/mol, XLogP of 9.40, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosyl 3-phosphanylpropanoate is sourced from PubChem (CID 88840795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).