ethoxy-hydroxy-oxophosphanium;octadecan-1-amine

C20H45NO3P+ — CID 173408964

IUPACethoxy-hydroxy-oxophosphanium;octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN.CCO[P+](=O)O
InChIInChI=1S/C18H39N.C2H5O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-5-6(3)4/h2-19H2,1H3;2H2,1H3/p+1
InChIKeyHUZIXDXXZFRKDK-UHFFFAOYSA-O
MW378.56 g/mol
LogP6.88
Rot. Bonds18

About ethoxy-hydroxy-oxophosphanium;octadecan-1-amine

ethoxy-hydroxy-oxophosphanium;octadecan-1-amine (PubChem CID 173408964) has the molecular formula C20H45NO3P+ and a molecular weight of 378.56 g/mol. Its IUPAC name is ethoxy-hydroxy-oxophosphanium;octadecan-1-amine.

Molecular Properties

Compound Nameethoxy-hydroxy-oxophosphanium;octadecan-1-amine
PubChem CID173408964
Molecular FormulaC20H45NO3P+
Molecular Weight378.56 g/mol
Exact Mass378.31
IUPAC Nameethoxy-hydroxy-oxophosphanium;octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN.CCO[P+](=O)O
InChIInChI=1S/C18H39N.C2H5O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-5-6(3)4/h2-19H2,1H3;2H2,1H3/p+1
InChIKeyHUZIXDXXZFRKDK-UHFFFAOYSA-O
XLogP6.88
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

ethoxy-hydroxy-oxophosphanium;hexadecan-1-amine
CID 173408938
dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane
CID 174724502
CID 6368648
CID 6368648
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
azane;hexoxy-hydroxy-oxophosphanium
CID 174618925
dodecan-1-amine;hydroxylamine
CID 175960605
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497

Frequently Asked Questions

What is the IUPAC name of ethoxy-hydroxy-oxophosphanium;octadecan-1-amine?
The IUPAC name of ethoxy-hydroxy-oxophosphanium;octadecan-1-amine (CID 173408964) is ethoxy-hydroxy-oxophosphanium;octadecan-1-amine.
What is the SMILES notation for ethoxy-hydroxy-oxophosphanium;octadecan-1-amine?
The canonical SMILES for ethoxy-hydroxy-oxophosphanium;octadecan-1-amine is CCCCCCCCCCCCCCCCCCN.CCO[P+](=O)O.
What is the InChIKey of ethoxy-hydroxy-oxophosphanium;octadecan-1-amine?
The InChIKey is HUZIXDXXZFRKDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H39N.C2H5O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-5-6(3)4/h2-19H2,1H3;2H2,1H3/p+1.
What are the key properties of ethoxy-hydroxy-oxophosphanium;octadecan-1-amine?
ethoxy-hydroxy-oxophosphanium;octadecan-1-amine has a molecular weight of 378.56 g/mol, XLogP of 6.88, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hydroxy-oxophosphanium;octadecan-1-amine is sourced from PubChem (CID 173408964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).