3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate

C25H45O4P — CID 57074050

IUPAC3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCOP(=O)(O)O
InChIInChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)
InChIKeyGYBNOAFGEKAZTA-UHFFFAOYSA-N
MW440.61 g/mol
LogP8.05
Rot. Bonds16

About 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate

3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate (PubChem CID 57074050) has the molecular formula C25H45O4P and a molecular weight of 440.61 g/mol. Its IUPAC name is 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate.

Molecular Properties

Compound Name3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate
PubChem CID57074050
Molecular FormulaC25H45O4P
Molecular Weight440.61 g/mol
Exact Mass440.31
IUPAC Name3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCOP(=O)(O)O
InChIInChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)
InChIKeyGYBNOAFGEKAZTA-UHFFFAOYSA-N
XLogP8.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.61
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate?
The IUPAC name of 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate (CID 57074050) is 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate.
What is the SMILES notation for 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate?
The canonical SMILES for 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCOP(=O)(O)O.
What is the InChIKey of 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate?
The InChIKey is GYBNOAFGEKAZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28).
What are the key properties of 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate?
3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate has a molecular weight of 440.61 g/mol, XLogP of 8.05, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl dihydrogen phosphate is sourced from PubChem (CID 57074050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).