3-propylperoxyoxetane

C6H12O3 — CID 174997097

IUPAC3-propylperoxyoxetane
SMILESCCCOOC1COC1
InChIInChI=1S/C6H12O3/c1-2-3-8-9-6-4-7-5-6/h6H,2-5H2,1H3
InChIKeyDXPIZUPMJSNRPH-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.74
Rot. Bonds4

About 3-propylperoxyoxetane

3-propylperoxyoxetane (PubChem CID 174997097) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-propylperoxyoxetane.

Molecular Properties

Compound Name3-propylperoxyoxetane
PubChem CID174997097
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name3-propylperoxyoxetane
SMILESCCCOOC1COC1
InChIInChI=1S/C6H12O3/c1-2-3-8-9-6-4-7-5-6/h6H,2-5H2,1H3
InChIKeyDXPIZUPMJSNRPH-UHFFFAOYSA-N
XLogP0.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-propoxyoxolane
CID 14071397
butylperoxycyclopropane
CID 154255203
2-(propylperoxymethyl)oxirane
CID 54276351
butylperoxycyclobutane
CID 151578639
3-(1-butoxyethoxy)oxetane
CID 170903491
4-propylperoxy-1,1-bis(2,4,4-trimethylpentan-2-yl)cyclohexane
CID 172745778
3-(oxetan-3-yloxy)-5-propoxyaniline
CID 102605481
3-bromo-4-(2-propoxyethoxy)oxolane
CID 114774160
2-methyloxirane;1-methylsulfanyloxypropane
CID 158308551
ethylperoxycyclopropane
CID 142258927
3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol
CID 163962789
oxetan-3-yl pentanoate
CID 54206985

Frequently Asked Questions

What is the IUPAC name of 3-propylperoxyoxetane?
The IUPAC name of 3-propylperoxyoxetane (CID 174997097) is 3-propylperoxyoxetane.
What is the SMILES notation for 3-propylperoxyoxetane?
The canonical SMILES for 3-propylperoxyoxetane is CCCOOC1COC1.
What is the InChIKey of 3-propylperoxyoxetane?
The InChIKey is DXPIZUPMJSNRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-2-3-8-9-6-4-7-5-6/h6H,2-5H2,1H3.
What are the key properties of 3-propylperoxyoxetane?
3-propylperoxyoxetane has a molecular weight of 132.16 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylperoxyoxetane is sourced from PubChem (CID 174997097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).