azane;didodecyl ethyl phosphate

C26H58NO4P — CID 170436215

IUPACazane;didodecyl ethyl phosphate
SMILESCCCCCCCCCCCCOP(=O)(OCC)OCCCCCCCCCCCC.N
InChIInChI=1S/C26H55O4P.H3N/c1-4-7-9-11-13-15-17-19-21-23-25-29-31(27,28-6-3)30-26-24-22-20-18-16-14-12-10-8-5-2;/h4-26H2,1-3H3;1H3
InChIKeyCANHWBNBAFKARS-UHFFFAOYSA-N
MW479.73 g/mol
LogP10.17
Rot. Bonds26

About azane;didodecyl ethyl phosphate

azane;didodecyl ethyl phosphate (PubChem CID 170436215) has the molecular formula C26H58NO4P and a molecular weight of 479.73 g/mol. Its IUPAC name is azane;didodecyl ethyl phosphate.

Molecular Properties

Compound Nameazane;didodecyl ethyl phosphate
PubChem CID170436215
Molecular FormulaC26H58NO4P
Molecular Weight479.73 g/mol
Exact Mass479.41
IUPAC Nameazane;didodecyl ethyl phosphate
SMILESCCCCCCCCCCCCOP(=O)(OCC)OCCCCCCCCCCCC.N
InChIInChI=1S/C26H55O4P.H3N/c1-4-7-9-11-13-15-17-19-21-23-25-29-31(27,28-6-3)30-26-24-22-20-18-16-14-12-10-8-5-2;/h4-26H2,1-3H3;1H3
InChIKeyCANHWBNBAFKARS-UHFFFAOYSA-N
XLogP10.17
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.73
LogP ≤ 510.17
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

dodecyl dioctyl phosphate
CID 57134013
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
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
butyl dihexyl phosphate
CID 22497695
dibutyl decyl phosphate
CID 19784867
ethyl iodomethyl octyl phosphate
CID 88723495
ethyl fluoro octyl phosphate
CID 141337473
tris(3-pentadecoxypropyl) phosphate
CID 126525532

Frequently Asked Questions

What is the IUPAC name of azane;didodecyl ethyl phosphate?
The IUPAC name of azane;didodecyl ethyl phosphate (CID 170436215) is azane;didodecyl ethyl phosphate.
What is the SMILES notation for azane;didodecyl ethyl phosphate?
The canonical SMILES for azane;didodecyl ethyl phosphate is CCCCCCCCCCCCOP(=O)(OCC)OCCCCCCCCCCCC.N.
What is the InChIKey of azane;didodecyl ethyl phosphate?
The InChIKey is CANHWBNBAFKARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55O4P.H3N/c1-4-7-9-11-13-15-17-19-21-23-25-29-31(27,28-6-3)30-26-24-22-20-18-16-14-12-10-8-5-2;/h4-26H2,1-3H3;1H3.
What are the key properties of azane;didodecyl ethyl phosphate?
azane;didodecyl ethyl phosphate has a molecular weight of 479.73 g/mol, XLogP of 10.17, 26 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;didodecyl ethyl phosphate is sourced from PubChem (CID 170436215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).