1-[azido(pentoxy)phosphoryl]oxypentane

C10H22N3O3P — CID 3912397

IUPAC1-[azido(pentoxy)phosphoryl]oxypentane
SMILESCCCCCOP(=O)(N=[N+]=[N-])OCCCCC
InChIInChI=1S/C10H22N3O3P/c1-3-5-7-9-15-17(14,13-12-11)16-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyQLDTZTFKGCHZAJ-UHFFFAOYSA-N
MW263.28 g/mol
LogP4.82
Rot. Bonds11

About 1-[azido(pentoxy)phosphoryl]oxypentane

1-[azido(pentoxy)phosphoryl]oxypentane (PubChem CID 3912397) has the molecular formula C10H22N3O3P and a molecular weight of 263.28 g/mol. Its IUPAC name is 1-[azido(pentoxy)phosphoryl]oxypentane.

Molecular Properties

Compound Name1-[azido(pentoxy)phosphoryl]oxypentane
PubChem CID3912397
Molecular FormulaC10H22N3O3P
Molecular Weight263.28 g/mol
Exact Mass263.14
IUPAC Name1-[azido(pentoxy)phosphoryl]oxypentane
SMILESCCCCCOP(=O)(N=[N+]=[N-])OCCCCC
InChIInChI=1S/C10H22N3O3P/c1-3-5-7-9-15-17(14,13-12-11)16-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyQLDTZTFKGCHZAJ-UHFFFAOYSA-N
XLogP4.82
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

octatriacontyl dihydrogen phosphate
CID 140979287
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl hexyl hydrogen phosphate
CID 15132676
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
dioctyl hydrogen phosphate;zinc
CID 20743274
iron;octadecyl dihydrogen phosphate
CID 175059517
didodecyl hydrogen phosphate;nickel
CID 87136164

Frequently Asked Questions

What is the IUPAC name of 1-[azido(pentoxy)phosphoryl]oxypentane?
The IUPAC name of 1-[azido(pentoxy)phosphoryl]oxypentane (CID 3912397) is 1-[azido(pentoxy)phosphoryl]oxypentane.
What is the SMILES notation for 1-[azido(pentoxy)phosphoryl]oxypentane?
The canonical SMILES for 1-[azido(pentoxy)phosphoryl]oxypentane is CCCCCOP(=O)(N=[N+]=[N-])OCCCCC.
What is the InChIKey of 1-[azido(pentoxy)phosphoryl]oxypentane?
The InChIKey is QLDTZTFKGCHZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3O3P/c1-3-5-7-9-15-17(14,13-12-11)16-10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of 1-[azido(pentoxy)phosphoryl]oxypentane?
1-[azido(pentoxy)phosphoryl]oxypentane has a molecular weight of 263.28 g/mol, XLogP of 4.82, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[azido(pentoxy)phosphoryl]oxypentane is sourced from PubChem (CID 3912397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).