sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid

C11H24NaO5P — CID 173359622

IUPACsodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid
SMILESCCCCCCCCOC(=O)C(C)P(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C11H23O5P.Na.H/c1-3-4-5-6-7-8-9-16-11(12)10(2)17(13,14)15;;/h10H,3-9H2,1-2H3,(H2,13,14,15);;/q;+1;-1
InChIKeyFFELHQWBVUTGLF-UHFFFAOYSA-N
MW290.27 g/mol
LogP-0.43
Rot. Bonds9

About sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid

sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid (PubChem CID 173359622) has the molecular formula C11H24NaO5P and a molecular weight of 290.27 g/mol. Its IUPAC name is sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid.

Molecular Properties

Compound Namesodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid
PubChem CID173359622
Molecular FormulaC11H24NaO5P
Molecular Weight290.27 g/mol
Exact Mass290.13
IUPAC Namesodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid
SMILESCCCCCCCCOC(=O)C(C)P(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C11H23O5P.Na.H/c1-3-4-5-6-7-8-9-16-11(12)10(2)17(13,14)15;;/h10H,3-9H2,1-2H3,(H2,13,14,15);;/q;+1;-1
InChIKeyFFELHQWBVUTGLF-UHFFFAOYSA-N
XLogP-0.43
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.43
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

sodium;hexadecyl (2S)-2-aminopropanoate;hydride
CID 174388601
[1-[6-(2-methylprop-2-enoyloxy)hexoxy]-1-oxopropan-2-yl]phosphonic acid
CID 176795551
sodium;dodecyl 2-(1-dodecoxy-1-oxopropan-2-yl)sulfanylpropanoate;hydride
CID 173301943
lithium;hexadecyl 2-hydroxypropanoate;hydride
CID 174573457
sodium;hexadecyl (2S,3S)-2-amino-3-methylpentanoate;hydride
CID 174767625
sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride
CID 175427051
heptyl 2-aminopropanoate
CID 14657662
heptadecyl (2S)-2-aminopropanoate
CID 122384608
hexyl 2-phosphanyloxypropanoate
CID 19783897
octadecyl 2-diethylphosphorylbutanoate
CID 141185476
dodecyl (2R)-2-aminopropanoate;hydrochloride
CID 156902416
nonyl 2-chloropropanoate
CID 527519

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid?
The IUPAC name of sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid (CID 173359622) is sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid.
What is the SMILES notation for sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid?
The canonical SMILES for sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid is CCCCCCCCOC(=O)C(C)P(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid?
The InChIKey is FFELHQWBVUTGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O5P.Na.H/c1-3-4-5-6-7-8-9-16-11(12)10(2)17(13,14)15;;/h10H,3-9H2,1-2H3,(H2,13,14,15);;/q;+1;-1.
What are the key properties of sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid?
sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid has a molecular weight of 290.27 g/mol, XLogP of -0.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid is sourced from PubChem (CID 173359622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).