ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid

C8H19O3P — CID 124671863

IUPACethyl-[(1S)-1-hydroxyhexyl]phosphinic acid
SMILESCCCCC[C@@H](O)P(=O)(O)CC
InChIInChI=1S/C8H19O3P/c1-3-5-6-7-8(9)12(10,11)4-2/h8-9H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyQDRQVMPQCXJWTA-QMMMGPOBSA-N
MW194.21 g/mol
LogP2.18
Rot. Bonds6

About ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid

ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid (PubChem CID 124671863) has the molecular formula C8H19O3P and a molecular weight of 194.21 g/mol. Its IUPAC name is ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid.

Molecular Properties

Compound Nameethyl-[(1S)-1-hydroxyhexyl]phosphinic acid
PubChem CID124671863
Molecular FormulaC8H19O3P
Molecular Weight194.21 g/mol
Exact Mass194.11
IUPAC Nameethyl-[(1S)-1-hydroxyhexyl]phosphinic acid
SMILESCCCCC[C@@H](O)P(=O)(O)CC
InChIInChI=1S/C8H19O3P/c1-3-5-6-7-8(9)12(10,11)4-2/h8-9H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyQDRQVMPQCXJWTA-QMMMGPOBSA-N
XLogP2.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

nonan-3-ylphosphonic acid
CID 151472369
1-phosphonododecylphosphonic acid
CID 6454178
1-phosphonoicosylphosphonic acid
CID 139609780
(1S)-1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]hexan-1-ol
CID 11415172
1-aminoheptan-2-ol;phosphoric acid
CID 174932535
pentadecan-6-yl dihydrogen phosphate
CID 22719349
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
dodecane;phosphoric acid
CID 88801558
azane;decan-5-yl dihydrogen phosphate
CID 88685768
hexatriacontan-18-ylphosphonic acid;neodymium
CID 159988610
[2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium
CID 89421203
decan-2-ylphosphonic acid
CID 22076607

Frequently Asked Questions

What is the IUPAC name of ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid?
The IUPAC name of ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid (CID 124671863) is ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid.
What is the SMILES notation for ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid?
The canonical SMILES for ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid is CCCCC[C@@H](O)P(=O)(O)CC.
What is the InChIKey of ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid?
The InChIKey is QDRQVMPQCXJWTA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19O3P/c1-3-5-6-7-8(9)12(10,11)4-2/h8-9H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1.
What are the key properties of ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid?
ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid has a molecular weight of 194.21 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(1S)-1-hydroxyhexyl]phosphinic acid is sourced from PubChem (CID 124671863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).