decoxy ethyl hydrogen phosphate

C12H27O5P — CID 150858602

IUPACdecoxy ethyl hydrogen phosphate
SMILESCCCCCCCCCCOOP(=O)(O)OCC
InChIInChI=1S/C12H27O5P/c1-3-5-6-7-8-9-10-11-12-15-17-18(13,14)16-4-2/h3-12H2,1-2H3,(H,13,14)
InChIKeyKRNFRYTUJRPUCF-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.21
Rot. Bonds13

About decoxy ethyl hydrogen phosphate

decoxy ethyl hydrogen phosphate (PubChem CID 150858602) has the molecular formula C12H27O5P and a molecular weight of 282.32 g/mol. Its IUPAC name is decoxy ethyl hydrogen phosphate.

Molecular Properties

Compound Namedecoxy ethyl hydrogen phosphate
PubChem CID150858602
Molecular FormulaC12H27O5P
Molecular Weight282.32 g/mol
Exact Mass282.16
IUPAC Namedecoxy ethyl hydrogen phosphate
SMILESCCCCCCCCCCOOP(=O)(O)OCC
InChIInChI=1S/C12H27O5P/c1-3-5-6-7-8-9-10-11-12-15-17-18(13,14)16-4-2/h3-12H2,1-2H3,(H,13,14)
InChIKeyKRNFRYTUJRPUCF-UHFFFAOYSA-N
XLogP4.21
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;ethyl hexadecyl hydrogen phosphate
CID 174382003
butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate
CID 122611661
CID 175712866
CID 175712866
butan-2-yloxy dodecoxy hydrogen phosphate
CID 171569215
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
hexadecyl hexyl hydrogen phosphate
CID 15132676
didodecyl hydrogen phosphate;nickel
CID 87136164
decyl propyl hydrogen phosphate
CID 87587050
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
butyl heptyl hydrogen phosphate
CID 86151412
dioctyl hydrogen phosphate;zinc
CID 20743274

Frequently Asked Questions

What is the IUPAC name of decoxy ethyl hydrogen phosphate?
The IUPAC name of decoxy ethyl hydrogen phosphate (CID 150858602) is decoxy ethyl hydrogen phosphate.
What is the SMILES notation for decoxy ethyl hydrogen phosphate?
The canonical SMILES for decoxy ethyl hydrogen phosphate is CCCCCCCCCCOOP(=O)(O)OCC.
What is the InChIKey of decoxy ethyl hydrogen phosphate?
The InChIKey is KRNFRYTUJRPUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O5P/c1-3-5-6-7-8-9-10-11-12-15-17-18(13,14)16-4-2/h3-12H2,1-2H3,(H,13,14).
What are the key properties of decoxy ethyl hydrogen phosphate?
decoxy ethyl hydrogen phosphate has a molecular weight of 282.32 g/mol, XLogP of 4.21, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy ethyl hydrogen phosphate is sourced from PubChem (CID 150858602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).