4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene

C10H20N3O3P — CID 146164418

IUPAC4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene
SMILESC=CCC(N=[N+]=[N-])P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H20N3O3P/c1-6-7-10(12-13-11)17(14,15-8(2)3)16-9(4)5/h6,8-10H,1,7H2,2-5H3
InChIKeyYATQFMPOIICEPU-UHFFFAOYSA-N
MW261.26 g/mol
LogP4.24
Rot. Bonds8

About 4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene

4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene (PubChem CID 146164418) has the molecular formula C10H20N3O3P and a molecular weight of 261.26 g/mol. Its IUPAC name is 4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene.

Molecular Properties

Compound Name4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene
PubChem CID146164418
Molecular FormulaC10H20N3O3P
Molecular Weight261.26 g/mol
Exact Mass261.12
IUPAC Name4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene
SMILESC=CCC(N=[N+]=[N-])P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H20N3O3P/c1-6-7-10(12-13-11)17(14,15-8(2)3)16-9(4)5/h6,8-10H,1,7H2,2-5H3
InChIKeyYATQFMPOIICEPU-UHFFFAOYSA-N
XLogP4.24
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-azido-1-diethoxyphosphorylpropane
CID 10353441
2-azidopent-4-enoic acid
CID 77132005
4-diethoxyphosphoryl-4-isocyanobut-1-ene
CID 131859549
ethenyl propan-2-yl hydrogen phosphate
CID 101139347
(3S)-3-di(propan-2-yloxy)phosphorylhexanal
CID 23659686
azido propan-2-yl hydrogen phosphate
CID 23045995
11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene
CID 21054116
3-diethoxyphosphorylbut-1-ene
CID 13357671
4-ethoxypent-1-ene
CID 12776575
(4R)-3-azido-4-methylhexane
CID 54477838
4,5,6-trimethyloct-1-ene
CID 91354249
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366

Frequently Asked Questions

What is the IUPAC name of 4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene?
The IUPAC name of 4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene (CID 146164418) is 4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene.
What is the SMILES notation for 4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene?
The canonical SMILES for 4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene is C=CCC(N=[N+]=[N-])P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene?
The InChIKey is YATQFMPOIICEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N3O3P/c1-6-7-10(12-13-11)17(14,15-8(2)3)16-9(4)5/h6,8-10H,1,7H2,2-5H3.
What are the key properties of 4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene?
4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene has a molecular weight of 261.26 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene is sourced from PubChem (CID 146164418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).