2-hydroxyethyl ditridecyl phosphate

C28H59O5P — CID 86141691

IUPAC2-hydroxyethyl ditridecyl phosphate
SMILESCCCCCCCCCCCCCOP(=O)(OCCO)OCCCCCCCCCCCCC
InChIInChI=1S/C28H59O5P/c1-3-5-7-9-11-13-15-17-19-21-23-26-31-34(30,33-28-25-29)32-27-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3
InChIKeyRXUMZBAXJFNEFI-UHFFFAOYSA-N
MW506.75 g/mol
LogP9.76
Rot. Bonds29

About 2-hydroxyethyl ditridecyl phosphate

2-hydroxyethyl ditridecyl phosphate (PubChem CID 86141691) has the molecular formula C28H59O5P and a molecular weight of 506.75 g/mol. Its IUPAC name is 2-hydroxyethyl ditridecyl phosphate.

Molecular Properties

Compound Name2-hydroxyethyl ditridecyl phosphate
PubChem CID86141691
Molecular FormulaC28H59O5P
Molecular Weight506.75 g/mol
Exact Mass506.41
IUPAC Name2-hydroxyethyl ditridecyl phosphate
SMILESCCCCCCCCCCCCCOP(=O)(OCCO)OCCCCCCCCCCCCC
InChIInChI=1S/C28H59O5P/c1-3-5-7-9-11-13-15-17-19-21-23-26-31-34(30,33-28-25-29)32-27-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3
InChIKeyRXUMZBAXJFNEFI-UHFFFAOYSA-N
XLogP9.76
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.75
LogP ≤ 59.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

decyl 2-hydroxyethyl propyl phosphate
CID 151935129
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
diheptyl propyl phosphate
CID 22497721
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331
alumane;trioctyl phosphate
CID 175071420
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695
azane;hexadecyl 2-hydroxyethyl hydrogen phosphate
CID 173341052
azane;didodecyl ethyl phosphate
CID 170436215
tris(3-pentadecoxypropyl) phosphate
CID 126525532

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl ditridecyl phosphate?
The IUPAC name of 2-hydroxyethyl ditridecyl phosphate (CID 86141691) is 2-hydroxyethyl ditridecyl phosphate.
What is the SMILES notation for 2-hydroxyethyl ditridecyl phosphate?
The canonical SMILES for 2-hydroxyethyl ditridecyl phosphate is CCCCCCCCCCCCCOP(=O)(OCCO)OCCCCCCCCCCCCC.
What is the InChIKey of 2-hydroxyethyl ditridecyl phosphate?
The InChIKey is RXUMZBAXJFNEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59O5P/c1-3-5-7-9-11-13-15-17-19-21-23-26-31-34(30,33-28-25-29)32-27-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3.
What are the key properties of 2-hydroxyethyl ditridecyl phosphate?
2-hydroxyethyl ditridecyl phosphate has a molecular weight of 506.75 g/mol, XLogP of 9.76, 29 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl ditridecyl phosphate is sourced from PubChem (CID 86141691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).