octyl dihydrogen phosphate

C8H19O4P — CID 19892

IUPACoctyl dihydrogen phosphate
SMILESCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C8H19O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
InChIKeyWRKCIHRWQZQBOL-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.46
Rot. Bonds8

About octyl dihydrogen phosphate

octyl dihydrogen phosphate (PubChem CID 19892) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is octyl dihydrogen phosphate.

Molecular Properties

Compound Nameoctyl dihydrogen phosphate
PubChem CID19892
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Nameoctyl dihydrogen phosphate
SMILESCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C8H19O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
InChIKeyWRKCIHRWQZQBOL-UHFFFAOYSA-N
XLogP2.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.46
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

Lauryl Phosphate
CID 75816
Myristyl Phosphate
CID 82327
Dicetyl Phosphate
CID 75143
Decyl phosphate
CID 62532
Dodecylphosphate
CID 1550836
Hexadecyl phosphate
CID 19059
Monotridecyl phosphate
CID 82161
Dioctyl phosphonate
CID 6328721
Potassium Lauryl Phosphate
CID 11970398
Didodecyl phosphate
CID 23467
Didodecyl phosphonate
CID 88863
Trioctyl phosphate
CID 15733

Frequently Asked Questions

What is the IUPAC name of octyl dihydrogen phosphate?
The IUPAC name of octyl dihydrogen phosphate (CID 19892) is octyl dihydrogen phosphate.
What is the SMILES notation for octyl dihydrogen phosphate?
The canonical SMILES for octyl dihydrogen phosphate is CCCCCCCCOP(=O)(O)O.
What is the InChIKey of octyl dihydrogen phosphate?
The InChIKey is WRKCIHRWQZQBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11).
What are the key properties of octyl dihydrogen phosphate?
octyl dihydrogen phosphate has a molecular weight of 210.21 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl dihydrogen phosphate is sourced from PubChem (CID 19892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).