icosyl(methoxy)phosphinous acid

C21H45O2P — CID 71531002

IUPACicosyl(methoxy)phosphinous acid
SMILESCCCCCCCCCCCCCCCCCCCCP(O)OC
InChIInChI=1S/C21H45O2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(22)23-2/h22H,3-21H2,1-2H3
InChIKeyNOHVLQMYCQMHEC-UHFFFAOYSA-N
MW360.56 g/mol
LogP7.98
Rot. Bonds20

About icosyl(methoxy)phosphinous acid

icosyl(methoxy)phosphinous acid (PubChem CID 71531002) has the molecular formula C21H45O2P and a molecular weight of 360.56 g/mol. Its IUPAC name is icosyl(methoxy)phosphinous acid.

Molecular Properties

Compound Nameicosyl(methoxy)phosphinous acid
PubChem CID71531002
Molecular FormulaC21H45O2P
Molecular Weight360.56 g/mol
Exact Mass360.32
IUPAC Nameicosyl(methoxy)phosphinous acid
SMILESCCCCCCCCCCCCCCCCCCCCP(O)OC
InChIInChI=1S/C21H45O2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(22)23-2/h22H,3-21H2,1-2H3
InChIKeyNOHVLQMYCQMHEC-UHFFFAOYSA-N
XLogP7.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.56
LogP ≤ 57.98
H-Bond Donors ≤ 51
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

methoxymethane;undecane
CID 174775722
ethyl-di(tetradecyl)phosphane
CID 89485353
azane;methyl hydrogen sulfate;trioctylphosphane
CID 174431747
octacosane;sulfane
CID 157204687
decane;ruthenium
CID 160818595
hexyl methyl hydrogen phosphite
CID 22731198
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
lithium;dodecane;hydride
CID 173115706
methanol;undecane
CID 161373911
trilithium;hydride;icosane
CID 173415382
dodecane;trioctylphosphane;dihydrobromide
CID 173344161

Frequently Asked Questions

What is the IUPAC name of icosyl(methoxy)phosphinous acid?
The IUPAC name of icosyl(methoxy)phosphinous acid (CID 71531002) is icosyl(methoxy)phosphinous acid.
What is the SMILES notation for icosyl(methoxy)phosphinous acid?
The canonical SMILES for icosyl(methoxy)phosphinous acid is CCCCCCCCCCCCCCCCCCCCP(O)OC.
What is the InChIKey of icosyl(methoxy)phosphinous acid?
The InChIKey is NOHVLQMYCQMHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45O2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(22)23-2/h22H,3-21H2,1-2H3.
What are the key properties of icosyl(methoxy)phosphinous acid?
icosyl(methoxy)phosphinous acid has a molecular weight of 360.56 g/mol, XLogP of 7.98, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for icosyl(methoxy)phosphinous acid is sourced from PubChem (CID 71531002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).