pentadecan-6-yl dihydrogen phosphate

C15H33O4P — CID 22719349

IUPACpentadecan-6-yl dihydrogen phosphate
SMILESCCCCCCCCCC(CCCCC)OP(=O)(O)O
InChIInChI=1S/C15H33O4P/c1-3-5-7-8-9-10-12-14-15(13-11-6-4-2)19-20(16,17)18/h15H,3-14H2,1-2H3,(H2,16,17,18)
InChIKeyMACZVQNIIDRNTE-UHFFFAOYSA-N
MW308.40 g/mol
LogP5.19
Rot. Bonds14

About pentadecan-6-yl dihydrogen phosphate

pentadecan-6-yl dihydrogen phosphate (PubChem CID 22719349) has the molecular formula C15H33O4P and a molecular weight of 308.40 g/mol. Its IUPAC name is pentadecan-6-yl dihydrogen phosphate.

Molecular Properties

Compound Namepentadecan-6-yl dihydrogen phosphate
PubChem CID22719349
Molecular FormulaC15H33O4P
Molecular Weight308.40 g/mol
Exact Mass308.21
IUPAC Namepentadecan-6-yl dihydrogen phosphate
SMILESCCCCCCCCCC(CCCCC)OP(=O)(O)O
InChIInChI=1S/C15H33O4P/c1-3-5-7-8-9-10-12-14-15(13-11-6-4-2)19-20(16,17)18/h15H,3-14H2,1-2H3,(H2,16,17,18)
InChIKeyMACZVQNIIDRNTE-UHFFFAOYSA-N
XLogP5.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.40
LogP ≤ 55.19
H-Bond Donors ≤ 52
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

dotriacontan-16-yl dihydrogen phosphate
CID 87532136
henicosan-4-yl dihydrogen phosphate
CID 175269897
potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
CID 173113859
1-hydroxyoctadecan-3-yl dihydrogen phosphate
CID 139888263
azane;decan-5-yl dihydrogen phosphate
CID 88685768
2-methyldodecan-5-yl dihydrogen phosphate
CID 23120845
2-phosphonooxydecylazanium
CID 102322927
copper;octan-3-yl dihydrogen phosphate
CID 174493101
trimethyl(2-phosphonooxyoctyl)azanium
CID 87551003
triheptatriacontan-19-yl phosphate
CID 87670645
heptan-4-yl dihydrogen phosphate
CID 18763997
dodecan-4-yl phosphono hydrogen phosphate
CID 88765863

Frequently Asked Questions

What is the IUPAC name of pentadecan-6-yl dihydrogen phosphate?
The IUPAC name of pentadecan-6-yl dihydrogen phosphate (CID 22719349) is pentadecan-6-yl dihydrogen phosphate.
What is the SMILES notation for pentadecan-6-yl dihydrogen phosphate?
The canonical SMILES for pentadecan-6-yl dihydrogen phosphate is CCCCCCCCCC(CCCCC)OP(=O)(O)O.
What is the InChIKey of pentadecan-6-yl dihydrogen phosphate?
The InChIKey is MACZVQNIIDRNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O4P/c1-3-5-7-8-9-10-12-14-15(13-11-6-4-2)19-20(16,17)18/h15H,3-14H2,1-2H3,(H2,16,17,18).
What are the key properties of pentadecan-6-yl dihydrogen phosphate?
pentadecan-6-yl dihydrogen phosphate has a molecular weight of 308.40 g/mol, XLogP of 5.19, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecan-6-yl dihydrogen phosphate is sourced from PubChem (CID 22719349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).