3-propyldioxetane

C5H10O2 — CID 20778371

IUPAC3-propyldioxetane
SMILESCCCC1COO1
InChIInChI=1S/C5H10O2/c1-2-3-5-4-6-7-5/h5H,2-4H2,1H3
InChIKeyGMPXVBIOZZXCGV-UHFFFAOYSA-N
MW102.13 g/mol
LogP1.12
Rot. Bonds2

About 3-propyldioxetane

3-propyldioxetane (PubChem CID 20778371) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 3-propyldioxetane.

Molecular Properties

Compound Name3-propyldioxetane
PubChem CID20778371
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name3-propyldioxetane
SMILESCCCC1COO1
InChIInChI=1S/C5H10O2/c1-2-3-5-4-6-7-5/h5H,2-4H2,1H3
InChIKeyGMPXVBIOZZXCGV-UHFFFAOYSA-N
XLogP1.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

CID 175475934
CID 175475934
4-propyldioxolane
CID 174817920
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
oxolane;2-propyloxirane
CID 175023929
(2S,4R)-2-methyl-4-propyl-1,3-dioxolane
CID 131847771
2,5-dipropyloxane
CID 118909754
6-propyl-1,3,5-trioxepane
CID 139790394
ethane;methane;3-methyl-4-propyloxolane
CID 144611295
3-propyl-1,4-dioxaspiro[4.4]nonane
CID 14592507
(6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 137382626
(2R)-2-pentyloxirane
CID 11147691
5-propyl-1,3-dioxane
CID 12697738

Frequently Asked Questions

What is the IUPAC name of 3-propyldioxetane?
The IUPAC name of 3-propyldioxetane (CID 20778371) is 3-propyldioxetane.
What is the SMILES notation for 3-propyldioxetane?
The canonical SMILES for 3-propyldioxetane is CCCC1COO1.
What is the InChIKey of 3-propyldioxetane?
The InChIKey is GMPXVBIOZZXCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-2-3-5-4-6-7-5/h5H,2-4H2,1H3.
What are the key properties of 3-propyldioxetane?
3-propyldioxetane has a molecular weight of 102.13 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyldioxetane is sourced from PubChem (CID 20778371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).