5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid

C17H37O4P — CID 88750018

IUPAC5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid
SMILESCCCCC(CC)CC(OP(=O)(O)CO)C(CC)CCCC
InChIInChI=1S/C17H37O4P/c1-5-9-11-15(7-3)13-17(21-22(19,20)14-18)16(8-4)12-10-6-2/h15-18H,5-14H2,1-4H3,(H,19,20)
InChIKeyKOYVKUZYZBLYLB-UHFFFAOYSA-N
MW336.45 g/mol
LogP5.33
Rot. Bonds14

About 5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid

5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid (PubChem CID 88750018) has the molecular formula C17H37O4P and a molecular weight of 336.45 g/mol. Its IUPAC name is 5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid.

Molecular Properties

Compound Name5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid
PubChem CID88750018
Molecular FormulaC17H37O4P
Molecular Weight336.45 g/mol
Exact Mass336.24
IUPAC Name5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid
SMILESCCCCC(CC)CC(OP(=O)(O)CO)C(CC)CCCC
InChIInChI=1S/C17H37O4P/c1-5-9-11-15(7-3)13-17(21-22(19,20)14-18)16(8-4)12-10-6-2/h15-18H,5-14H2,1-4H3,(H,19,20)
InChIKeyKOYVKUZYZBLYLB-UHFFFAOYSA-N
XLogP5.33
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.45
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium
CID 23131996
5,8-diethyldodecan-6-yl dihydrogen phosphite
CID 21249648
5,8-diethyl-6-(2-ethylhexoxy)dodecane
CID 123215209
4-(5,8-diethyldodecan-6-yloxy)-4-oxobut-2-enoic acid
CID 173071338
3-(hydroxymethyl)octan-4-yl dihydrogen phosphate
CID 87707822
4,5,7-triethylundecane
CID 123222302
8-butan-2-yl-6-ethylpentadecane
CID 123398993
2-ethylhexyl(2-methylpropoxy)phosphinic acid
CID 14088722
azane;6-butyldecan-5-yl dihydrogen phosphate
CID 88652298
3-(diethoxyphosphorylmethyl)heptane
CID 13197361
butyl(2-ethylhexoxy)phosphinic acid
CID 57079247
bis(2-ethylhexyl) 2-(2-hydroxyethyl)hexyl phosphate
CID 169438347

Frequently Asked Questions

What is the IUPAC name of 5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid?
The IUPAC name of 5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid (CID 88750018) is 5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid.
What is the SMILES notation for 5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid?
The canonical SMILES for 5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid is CCCCC(CC)CC(OP(=O)(O)CO)C(CC)CCCC.
What is the InChIKey of 5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid?
The InChIKey is KOYVKUZYZBLYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37O4P/c1-5-9-11-15(7-3)13-17(21-22(19,20)14-18)16(8-4)12-10-6-2/h15-18H,5-14H2,1-4H3,(H,19,20).
What are the key properties of 5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid?
5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid has a molecular weight of 336.45 g/mol, XLogP of 5.33, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid is sourced from PubChem (CID 88750018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).