dihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid

C18H40O7P2 — CID 159291449

IUPACdihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.OP(O)OP(O)O
InChIInChI=1S/C18H36O2.H4O5P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6(2)5-7(3)4/h2-17H2,1H3,(H,19,20);1-4H
InChIKeyLAEIFMYGINUFNO-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.76
Rot. Bonds18

About dihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid

dihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid (PubChem CID 159291449) has the molecular formula C18H40O7P2 and a molecular weight of 430.46 g/mol. Its IUPAC name is dihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid.

Molecular Properties

Compound Namedihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid
PubChem CID159291449
Molecular FormulaC18H40O7P2
Molecular Weight430.46 g/mol
Exact Mass430.22
IUPAC Namedihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.OP(O)OP(O)O
InChIInChI=1S/C18H36O2.H4O5P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6(2)5-7(3)4/h2-17H2,1H3,(H,19,20);1-4H
InChIKeyLAEIFMYGINUFNO-UHFFFAOYSA-N
XLogP5.76
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

decanoic acid;phosphorous acid
CID 158036968
acetic acid;decanoic acid
CID 159015360
CID 131882435
CID 131882435
pentacosanoic acid
CID 10468
pentakis(decanoic acid);tetradecanoic acid
CID 173200297
(1,12-13C2)dodecanoic acid
CID 71308916
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161

Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid?
The IUPAC name of dihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid (CID 159291449) is dihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid.
What is the SMILES notation for dihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid?
The canonical SMILES for dihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)O.OP(O)OP(O)O.
What is the InChIKey of dihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid?
The InChIKey is LAEIFMYGINUFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.H4O5P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6(2)5-7(3)4/h2-17H2,1H3,(H,19,20);1-4H.
What are the key properties of dihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid?
dihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid has a molecular weight of 430.46 g/mol, XLogP of 5.76, 18 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphanyl dihydrogen phosphite;octadecanoic acid is sourced from PubChem (CID 159291449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).