6-aminohexoxy(methyl)phosphinic acid;ethane

C11H30NO3P — CID 166146480

IUPAC6-aminohexoxy(methyl)phosphinic acid;ethane
SMILESCC.CC.CP(=O)(O)OCCCCCCN
InChIInChI=1S/C7H18NO3P.2C2H6/c1-12(9,10)11-7-5-3-2-4-6-8;2*1-2/h2-8H2,1H3,(H,9,10);2*1-2H3
InChIKeyFRNNGJCQTXYOGA-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.39
Rot. Bonds7

About 6-aminohexoxy(methyl)phosphinic acid;ethane

6-aminohexoxy(methyl)phosphinic acid;ethane (PubChem CID 166146480) has the molecular formula C11H30NO3P and a molecular weight of 255.34 g/mol. Its IUPAC name is 6-aminohexoxy(methyl)phosphinic acid;ethane.

Molecular Properties

Compound Name6-aminohexoxy(methyl)phosphinic acid;ethane
PubChem CID166146480
Molecular FormulaC11H30NO3P
Molecular Weight255.34 g/mol
Exact Mass255.20
IUPAC Name6-aminohexoxy(methyl)phosphinic acid;ethane
SMILESCC.CC.CP(=O)(O)OCCCCCCN
InChIInChI=1S/C7H18NO3P.2C2H6/c1-12(9,10)11-7-5-3-2-4-6-8;2*1-2/h2-8H2,1H3,(H,9,10);2*1-2H3
InChIKeyFRNNGJCQTXYOGA-UHFFFAOYSA-N
XLogP3.39
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.39
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

15-aminopentadecyl dihydrogen phosphate
CID 87683192
30-aminotriacontyl dihydrogen phosphate
CID 87681380
38-aminooctatriacontyl dihydrogen phosphate
CID 87686318
25-aminopentacosyl dihydrogen phosphate
CID 87681280
6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate
CID 160794380
methyl(6-sulfanylhexoxy)phosphinic acid
CID 59539997
6-aminohexyl hexadecyl hydrogen phosphate
CID 71341995
butyl hexyl hydrogen phosphate;dodecan-1-amine
CID 175403513
methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid
CID 164973932
5-[hydroxy(methyl)phosphoryl]oxypentanoic acid
CID 139636947
4-[ethoxy(hydroxy)phosphoryl]oxybutoxy-methylphosphinic acid
CID 58291192
ethane-1,2-diamine;methylphosphonic acid
CID 19349473

Frequently Asked Questions

What is the IUPAC name of 6-aminohexoxy(methyl)phosphinic acid;ethane?
The IUPAC name of 6-aminohexoxy(methyl)phosphinic acid;ethane (CID 166146480) is 6-aminohexoxy(methyl)phosphinic acid;ethane.
What is the SMILES notation for 6-aminohexoxy(methyl)phosphinic acid;ethane?
The canonical SMILES for 6-aminohexoxy(methyl)phosphinic acid;ethane is CC.CC.CP(=O)(O)OCCCCCCN.
What is the InChIKey of 6-aminohexoxy(methyl)phosphinic acid;ethane?
The InChIKey is FRNNGJCQTXYOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO3P.2C2H6/c1-12(9,10)11-7-5-3-2-4-6-8;2*1-2/h2-8H2,1H3,(H,9,10);2*1-2H3.
What are the key properties of 6-aminohexoxy(methyl)phosphinic acid;ethane?
6-aminohexoxy(methyl)phosphinic acid;ethane has a molecular weight of 255.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexoxy(methyl)phosphinic acid;ethane is sourced from PubChem (CID 166146480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).