1-hydroxypropyl(octan-4-yloxy)phosphinic acid

C11H25O4P — CID 88818158

IUPAC1-hydroxypropyl(octan-4-yloxy)phosphinic acid
SMILESCCCCC(CCC)OP(=O)(O)C(O)CC
InChIInChI=1S/C11H25O4P/c1-4-7-9-10(8-5-2)15-16(13,14)11(12)6-3/h10-12H,4-9H2,1-3H3,(H,13,14)
InChIKeyKGQFQWYGWZAFPY-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.28
Rot. Bonds9

About 1-hydroxypropyl(octan-4-yloxy)phosphinic acid

1-hydroxypropyl(octan-4-yloxy)phosphinic acid (PubChem CID 88818158) has the molecular formula C11H25O4P and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-hydroxypropyl(octan-4-yloxy)phosphinic acid.

Molecular Properties

Compound Name1-hydroxypropyl(octan-4-yloxy)phosphinic acid
PubChem CID88818158
Molecular FormulaC11H25O4P
Molecular Weight252.29 g/mol
Exact Mass252.15
IUPAC Name1-hydroxypropyl(octan-4-yloxy)phosphinic acid
SMILESCCCCC(CCC)OP(=O)(O)C(O)CC
InChIInChI=1S/C11H25O4P/c1-4-7-9-10(8-5-2)15-16(13,14)11(12)6-3/h10-12H,4-9H2,1-3H3,(H,13,14)
InChIKeyKGQFQWYGWZAFPY-UHFFFAOYSA-N
XLogP3.28
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.28
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

henicosan-4-yl dihydrogen phosphate
CID 175269897
ethenyl(octan-4-yloxy)phosphinic acid
CID 88822160
dodecan-4-yl phosphono hydrogen phosphate
CID 88765863
heptan-4-yl dihydrogen phosphate
CID 18763997
diheptan-4-yl hydrogen phosphate
CID 22497552
azane;decan-5-yl dihydrogen phosphate
CID 88685768
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
pentadecan-6-yl dihydrogen phosphate
CID 22719349
1-octan-4-yloxypropan-1-ol
CID 141313550
3-octan-3-yloxyoctane;phosphoric acid
CID 118002382
potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
CID 173113859
copper;octan-3-yl dihydrogen phosphate
CID 174493101

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropyl(octan-4-yloxy)phosphinic acid?
The IUPAC name of 1-hydroxypropyl(octan-4-yloxy)phosphinic acid (CID 88818158) is 1-hydroxypropyl(octan-4-yloxy)phosphinic acid.
What is the SMILES notation for 1-hydroxypropyl(octan-4-yloxy)phosphinic acid?
The canonical SMILES for 1-hydroxypropyl(octan-4-yloxy)phosphinic acid is CCCCC(CCC)OP(=O)(O)C(O)CC.
What is the InChIKey of 1-hydroxypropyl(octan-4-yloxy)phosphinic acid?
The InChIKey is KGQFQWYGWZAFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O4P/c1-4-7-9-10(8-5-2)15-16(13,14)11(12)6-3/h10-12H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 1-hydroxypropyl(octan-4-yloxy)phosphinic acid?
1-hydroxypropyl(octan-4-yloxy)phosphinic acid has a molecular weight of 252.29 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropyl(octan-4-yloxy)phosphinic acid is sourced from PubChem (CID 88818158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).