hydroxy-[1-(octylamino)ethoxy]-oxophosphanium

C10H23NO3P+ — CID 88693762

IUPAChydroxy-[1-(octylamino)ethoxy]-oxophosphanium
SMILESCCCCCCCCNC(C)O[P+](=O)O
InChIInChI=1S/C10H22NO3P/c1-3-4-5-6-7-8-9-11-10(2)14-15(12)13/h10-11H,3-9H2,1-2H3/p+1
InChIKeyCNBNSHMVHGFRHY-UHFFFAOYSA-O
MW236.27 g/mol
LogP2.95
Rot. Bonds10

About hydroxy-[1-(octylamino)ethoxy]-oxophosphanium

hydroxy-[1-(octylamino)ethoxy]-oxophosphanium (PubChem CID 88693762) has the molecular formula C10H23NO3P+ and a molecular weight of 236.27 g/mol. Its IUPAC name is hydroxy-[1-(octylamino)ethoxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[1-(octylamino)ethoxy]-oxophosphanium
PubChem CID88693762
Molecular FormulaC10H23NO3P+
Molecular Weight236.27 g/mol
Exact Mass236.14
IUPAC Namehydroxy-[1-(octylamino)ethoxy]-oxophosphanium
SMILESCCCCCCCCNC(C)O[P+](=O)O
InChIInChI=1S/C10H22NO3P/c1-3-4-5-6-7-8-9-11-10(2)14-15(12)13/h10-11H,3-9H2,1-2H3/p+1
InChIKeyCNBNSHMVHGFRHY-UHFFFAOYSA-O
XLogP2.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(dodecylamino)ethyl hydrogen sulfate
CID 166709195
bis[1-(dodecylamino)ethyl] sulfate
CID 166709194
1-(octadecylamino)ethyl octadecanoate
CID 174990474
ethyl 2-(heptylamino)propanoate
CID 61498650
ethyl 2-(hexylamino)propanoate
CID 13388952
methyl 2-(dodecylamino)-3-methylbutanoate
CID 63402058
N-propan-2-ylicosan-1-amine
CID 87246132
pentakis(decane);hydroxy-methoxy-oxophosphanium
CID 173118526
hydroxy-methoxy-oxophosphanium;tetradecane
CID 87604776
methyl 2-(tetradecylamino)propanoate
CID 174995791
methyl 2-(octylamino)propanoate
CID 60780709
2-(tetradecylamino)propane-1,1-diol
CID 174762987

Frequently Asked Questions

What is the IUPAC name of hydroxy-[1-(octylamino)ethoxy]-oxophosphanium?
The IUPAC name of hydroxy-[1-(octylamino)ethoxy]-oxophosphanium (CID 88693762) is hydroxy-[1-(octylamino)ethoxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[1-(octylamino)ethoxy]-oxophosphanium?
The canonical SMILES for hydroxy-[1-(octylamino)ethoxy]-oxophosphanium is CCCCCCCCNC(C)O[P+](=O)O.
What is the InChIKey of hydroxy-[1-(octylamino)ethoxy]-oxophosphanium?
The InChIKey is CNBNSHMVHGFRHY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H22NO3P/c1-3-4-5-6-7-8-9-11-10(2)14-15(12)13/h10-11H,3-9H2,1-2H3/p+1.
What are the key properties of hydroxy-[1-(octylamino)ethoxy]-oxophosphanium?
hydroxy-[1-(octylamino)ethoxy]-oxophosphanium has a molecular weight of 236.27 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[1-(octylamino)ethoxy]-oxophosphanium is sourced from PubChem (CID 88693762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).