CID 57226222

C15H33NO2P+ — CID 57226222

IUPAC—
SMILESCCCCCCCCC/C=[P+](\[O-])OCC[N+](C)(C)C
InChIInChI=1S/C15H33NO2P/c1-5-6-7-8-9-10-11-12-15-19(17)18-14-13-16(2,3)4/h15H,5-14H2,1-4H3/q+1
InChIKeyNASBEBXRFNSSNY-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.32
Rot. Bonds12

About CID 57226222

CID 57226222 (PubChem CID 57226222) has the molecular formula C15H33NO2P+ and a molecular weight of 290.41 g/mol.

Molecular Properties

Compound NameCID 57226222
PubChem CID57226222
Molecular FormulaC15H33NO2P+
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name—
SMILESCCCCCCCCC/C=[P+](\[O-])OCC[N+](C)(C)C
InChIInChI=1S/C15H33NO2P/c1-5-6-7-8-9-10-11-12-15-19(17)18-14-13-16(2,3)4/h15H,5-14H2,1-4H3/q+1
InChIKeyNASBEBXRFNSSNY-UHFFFAOYSA-N
XLogP3.32
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174865096
2-[dodecyl(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 20977395
2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium
CID 155047773
trimethyl-[2-[2-[2-[2-[(Z)-octadec-9-enoyl]oxyethoxy]ethoxy]ethoxy]ethyl]azanium
CID 58233659
trimethyl(2-octoxyethyl)azanium bromide
CID 158985306
[(Z)-tetracos-15-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922751
2-[hydroxy-[(Z)-nonadec-10-enoxy]phosphoryl]oxyethyl-trimethylazanium
CID 11744356
[(Z)-icos-11-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922700
phosphorous acid;trimethyl(2-octadecoxyethyl)azanium
CID 174575298
trimethyl(2-tetradecoxycarbonyloxyethyl)azanium
CID 86345276
2-[[(E)-dec-1-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 11573327
(Z)-1-[2-(trimethylazaniumyl)ethoxyphosphanylidene]hexadec-9-en-1-olate
CID 175029891

Frequently Asked Questions

What is the IUPAC name of CID 57226222?
The IUPAC name of CID 57226222 (CID 57226222) is not available.
What is the SMILES notation for CID 57226222?
The canonical SMILES for CID 57226222 is CCCCCCCCC/C=[P+](\[O-])OCC[N+](C)(C)C.
What is the InChIKey of CID 57226222?
The InChIKey is NASBEBXRFNSSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2P/c1-5-6-7-8-9-10-11-12-15-19(17)18-14-13-16(2,3)4/h15H,5-14H2,1-4H3/q+1.
What are the key properties of CID 57226222?
CID 57226222 has a molecular weight of 290.41 g/mol, XLogP of 3.32, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57226222 is sourced from PubChem (CID 57226222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).