8-hydroxyoctyl dihydrogen phosphate

C8H19O5P — CID 87681858

IUPAC8-hydroxyoctyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCO
InChIInChI=1S/C8H19O5P/c9-7-5-3-1-2-4-6-8-13-14(10,11)12/h9H,1-8H2,(H2,10,11,12)
InChIKeyVNYQODQNITTWTO-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.43
Rot. Bonds9

About 8-hydroxyoctyl dihydrogen phosphate

8-hydroxyoctyl dihydrogen phosphate (PubChem CID 87681858) has the molecular formula C8H19O5P and a molecular weight of 226.21 g/mol. Its IUPAC name is 8-hydroxyoctyl dihydrogen phosphate.

Molecular Properties

Compound Name8-hydroxyoctyl dihydrogen phosphate
PubChem CID87681858
Molecular FormulaC8H19O5P
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name8-hydroxyoctyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCO
InChIInChI=1S/C8H19O5P/c9-7-5-3-1-2-4-6-8-13-14(10,11)12/h9H,1-8H2,(H2,10,11,12)
InChIKeyVNYQODQNITTWTO-UHFFFAOYSA-N
XLogP1.43
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

12-hydroxydodecyl dihydrogen phosphate
CID 24830904
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
3-hydroxypropyl dihydrogen phosphate;phosphoric acid
CID 139534091
ethanol;hexadecyl dihydrogen phosphate
CID 174523308
30-bromotriacontyl dihydrogen phosphate
CID 87684880
pentatriacontyl dihydrogen phosphate
CID 164897229
15-aminopentadecyl dihydrogen phosphate
CID 87683192
30-aminotriacontyl dihydrogen phosphate
CID 87681380
13-chlorotridecyl dihydrogen phosphate
CID 87684789
25-chloropentacosyl dihydrogen phosphate
CID 87683690
38-aminooctatriacontyl dihydrogen phosphate
CID 87686318

Frequently Asked Questions

What is the IUPAC name of 8-hydroxyoctyl dihydrogen phosphate?
The IUPAC name of 8-hydroxyoctyl dihydrogen phosphate (CID 87681858) is 8-hydroxyoctyl dihydrogen phosphate.
What is the SMILES notation for 8-hydroxyoctyl dihydrogen phosphate?
The canonical SMILES for 8-hydroxyoctyl dihydrogen phosphate is O=P(O)(O)OCCCCCCCCO.
What is the InChIKey of 8-hydroxyoctyl dihydrogen phosphate?
The InChIKey is VNYQODQNITTWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O5P/c9-7-5-3-1-2-4-6-8-13-14(10,11)12/h9H,1-8H2,(H2,10,11,12).
What are the key properties of 8-hydroxyoctyl dihydrogen phosphate?
8-hydroxyoctyl dihydrogen phosphate has a molecular weight of 226.21 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyoctyl dihydrogen phosphate is sourced from PubChem (CID 87681858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).