heptyl dihydrogen phosphate;octyl dihydrogen phosphate

C15H36O8P2 — CID 160757103

IUPACheptyl dihydrogen phosphate;octyl dihydrogen phosphate
SMILESCCCCCCCCOP(=O)(O)O.CCCCCCCOP(=O)(O)O
InChIInChI=1S/C8H19O4P.C7H17O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-2-3-4-5-6-7-11-12(8,9)10/h2-8H2,1H3,(H2,9,10,11);2-7H2,1H3,(H2,8,9,10)
InChIKeyRXOQDPIHWZIGEE-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.52
Rot. Bonds15

About heptyl dihydrogen phosphate;octyl dihydrogen phosphate

heptyl dihydrogen phosphate;octyl dihydrogen phosphate (PubChem CID 160757103) has the molecular formula C15H36O8P2 and a molecular weight of 406.39 g/mol. Its IUPAC name is heptyl dihydrogen phosphate;octyl dihydrogen phosphate.

Molecular Properties

Compound Nameheptyl dihydrogen phosphate;octyl dihydrogen phosphate
PubChem CID160757103
Molecular FormulaC15H36O8P2
Molecular Weight406.39 g/mol
Exact Mass406.19
IUPAC Nameheptyl dihydrogen phosphate;octyl dihydrogen phosphate
SMILESCCCCCCCCOP(=O)(O)O.CCCCCCCOP(=O)(O)O
InChIInChI=1S/C8H19O4P.C7H17O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-2-3-4-5-6-7-11-12(8,9)10/h2-8H2,1H3,(H2,9,10,11);2-7H2,1H3,(H2,8,9,10)
InChIKeyRXOQDPIHWZIGEE-UHFFFAOYSA-N
XLogP4.52
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

octatriacontyl dihydrogen phosphate
CID 140979287
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
dodecyl dihydrogen phosphate;indigane
CID 173026750
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170842594
CID 170842594
CID 170843971
CID 170843971
alumane;tridecyl dihydrogen phosphate
CID 173322009
ethanol;hexadecyl dihydrogen phosphate
CID 174523308
sodium;hydride;tetradecyl dihydrogen phosphate
CID 173022959

Frequently Asked Questions

What is the IUPAC name of heptyl dihydrogen phosphate;octyl dihydrogen phosphate?
The IUPAC name of heptyl dihydrogen phosphate;octyl dihydrogen phosphate (CID 160757103) is heptyl dihydrogen phosphate;octyl dihydrogen phosphate.
What is the SMILES notation for heptyl dihydrogen phosphate;octyl dihydrogen phosphate?
The canonical SMILES for heptyl dihydrogen phosphate;octyl dihydrogen phosphate is CCCCCCCCOP(=O)(O)O.CCCCCCCOP(=O)(O)O.
What is the InChIKey of heptyl dihydrogen phosphate;octyl dihydrogen phosphate?
The InChIKey is RXOQDPIHWZIGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P.C7H17O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-2-3-4-5-6-7-11-12(8,9)10/h2-8H2,1H3,(H2,9,10,11);2-7H2,1H3,(H2,8,9,10).
What are the key properties of heptyl dihydrogen phosphate;octyl dihydrogen phosphate?
heptyl dihydrogen phosphate;octyl dihydrogen phosphate has a molecular weight of 406.39 g/mol, XLogP of 4.52, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl dihydrogen phosphate;octyl dihydrogen phosphate is sourced from PubChem (CID 160757103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).