azane;ethyl hexadecyl hydrogen phosphate

C18H45N2O4P — CID 174382003

IUPACazane;ethyl hexadecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)OCC.N.N
InChIInChI=1S/C18H39O4P.2H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21-4-2;;/h3-18H2,1-2H3,(H,19,20);2*1H3
InChIKeyFKSYCNVRTLHECI-UHFFFAOYSA-N
MW384.54 g/mol
LogP6.95
Rot. Bonds18

About azane;ethyl hexadecyl hydrogen phosphate

azane;ethyl hexadecyl hydrogen phosphate (PubChem CID 174382003) has the molecular formula C18H45N2O4P and a molecular weight of 384.54 g/mol. Its IUPAC name is azane;ethyl hexadecyl hydrogen phosphate.

Molecular Properties

Compound Nameazane;ethyl hexadecyl hydrogen phosphate
PubChem CID174382003
Molecular FormulaC18H45N2O4P
Molecular Weight384.54 g/mol
Exact Mass384.31
IUPAC Nameazane;ethyl hexadecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)OCC.N.N
InChIInChI=1S/C18H39O4P.2H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21-4-2;;/h3-18H2,1-2H3,(H,19,20);2*1H3
InChIKeyFKSYCNVRTLHECI-UHFFFAOYSA-N
XLogP6.95
TPSA125.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 56.95
H-Bond Donors ≤ 53
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 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
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dioctyl hydrogen phosphate;zinc
CID 20743274
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
azane;hexadecyl 2-hydroxyethyl hydrogen phosphate
CID 173341052
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc
CID 88510705
acetic acid;dioctyl hydrogen phosphate
CID 175176967

Frequently Asked Questions

What is the IUPAC name of azane;ethyl hexadecyl hydrogen phosphate?
The IUPAC name of azane;ethyl hexadecyl hydrogen phosphate (CID 174382003) is azane;ethyl hexadecyl hydrogen phosphate.
What is the SMILES notation for azane;ethyl hexadecyl hydrogen phosphate?
The canonical SMILES for azane;ethyl hexadecyl hydrogen phosphate is CCCCCCCCCCCCCCCCOP(=O)(O)OCC.N.N.
What is the InChIKey of azane;ethyl hexadecyl hydrogen phosphate?
The InChIKey is FKSYCNVRTLHECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O4P.2H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21-4-2;;/h3-18H2,1-2H3,(H,19,20);2*1H3.
What are the key properties of azane;ethyl hexadecyl hydrogen phosphate?
azane;ethyl hexadecyl hydrogen phosphate has a molecular weight of 384.54 g/mol, XLogP of 6.95, 18 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl hexadecyl hydrogen phosphate is sourced from PubChem (CID 174382003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).