1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one

C26H54NO4P — CID 170416262

IUPAC1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one
SMILESC=P(OC)(OCCN)OCCCCC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C26H54NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)22-19-20-24-30-32(3,29-2)31-25-23-27/h3-25,27H2,1-2H3
InChIKeyOVVMZARMAJVARY-UHFFFAOYSA-N
MW475.70 g/mol
LogP7.82
Rot. Bonds26

About 1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one

1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one (PubChem CID 170416262) has the molecular formula C26H54NO4P and a molecular weight of 475.70 g/mol. Its IUPAC name is 1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one.

Molecular Properties

Compound Name1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one
PubChem CID170416262
Molecular FormulaC26H54NO4P
Molecular Weight475.70 g/mol
Exact Mass475.38
IUPAC Name1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one
SMILESC=P(OC)(OCCN)OCCCCC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C26H54NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)22-19-20-24-30-32(3,29-2)31-25-23-27/h3-25,27H2,1-2H3
InChIKeyOVVMZARMAJVARY-UHFFFAOYSA-N
XLogP7.82
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.70
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-aminoethoxy(octadecanoyl)phosphinic acid
CID 175563947
[1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxy-3-octadec-1-enoxypropan-2-yl] octadec-9-enoate
CID 123884374
1-(2-aminoethoxy)dodecan-2-one
CID 116590896
1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one
CID 171850546
ethene;tridecan-7-one
CID 159715360
pentacosan-7-one
CID 54551687
pentacosane-7,19-dione
CID 139254510
octacosan-8-one
CID 86052342
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one?
The IUPAC name of 1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one (CID 170416262) is 1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one.
What is the SMILES notation for 1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one?
The canonical SMILES for 1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one is C=P(OC)(OCCN)OCCCCC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one?
The InChIKey is OVVMZARMAJVARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)22-19-20-24-30-32(3,29-2)31-25-23-27/h3-25,27H2,1-2H3.
What are the key properties of 1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one?
1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one has a molecular weight of 475.70 g/mol, XLogP of 7.82, 26 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy-methoxy-methylidene-λ5-phosphanyl)oxydocosan-5-one is sourced from PubChem (CID 170416262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).