3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane

C11H29N3O4 — CID 158924123

IUPAC3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane
SMILESC.C.C.C=CCN=[N+]=[N-].CC(O)COCCOO
InChIInChI=1S/C5H12O4.C3H5N3.3CH4/c1-5(6)4-8-2-3-9-7;1-2-3-5-6-4;;;/h5-7H,2-4H2,1H3;2H,1,3H2;3*1H4
InChIKeyJIFDISSGPBCJOI-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.26
Rot. Bonds7

About 3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane

3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane (PubChem CID 158924123) has the molecular formula C11H29N3O4 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane.

Molecular Properties

Compound Name3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane
PubChem CID158924123
Molecular FormulaC11H29N3O4
Molecular Weight267.37 g/mol
Exact Mass267.22
IUPAC Name3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane
SMILESC.C.C.C=CCN=[N+]=[N-].CC(O)COCCOO
InChIInChI=1S/C5H12O4.C3H5N3.3CH4/c1-5(6)4-8-2-3-9-7;1-2-3-5-6-4;;;/h5-7H,2-4H2,1H3;2H,1,3H2;3*1H4
InChIKeyJIFDISSGPBCJOI-UHFFFAOYSA-N
XLogP3.26
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane
CID 161343566
1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane
CID 175936797
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol
CID 123505262
3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]prop-1-ene
CID 150682699
1-[2-(1-methoxypropan-2-yloxy)ethoxy]propan-2-ol
CID 18709988
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
1-(3,3-dimethylbutoxy)propan-2-ol
CID 66225611
4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide
CID 59248185
3-(2-hydroxypropoxy)propane-1,1-diol
CID 88599165

Frequently Asked Questions

What is the IUPAC name of 3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane?
The IUPAC name of 3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane (CID 158924123) is 3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane.
What is the SMILES notation for 3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane?
The canonical SMILES for 3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane is C.C.C.C=CCN=[N+]=[N-].CC(O)COCCOO.
What is the InChIKey of 3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane?
The InChIKey is JIFDISSGPBCJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4.C3H5N3.3CH4/c1-5(6)4-8-2-3-9-7;1-2-3-5-6-4;;;/h5-7H,2-4H2,1H3;2H,1,3H2;3*1H4.
What are the key properties of 3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane?
3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane has a molecular weight of 267.37 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane is sourced from PubChem (CID 158924123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).