2-(3-methyloxiran-2-yl)-1,3-dioxolane

C6H10O3 — CID 119097855

IUPAC2-(3-methyloxiran-2-yl)-1,3-dioxolane
SMILESCC1OC1C1OCCO1
InChIInChI=1S/C6H10O3/c1-4-5(9-4)6-7-2-3-8-6/h4-6H,2-3H2,1H3
InChIKeyUQGGOSGDZRZGJO-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.15
Rot. Bonds1

About 2-(3-methyloxiran-2-yl)-1,3-dioxolane

2-(3-methyloxiran-2-yl)-1,3-dioxolane (PubChem CID 119097855) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-(3-methyloxiran-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-methyloxiran-2-yl)-1,3-dioxolane
PubChem CID119097855
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-(3-methyloxiran-2-yl)-1,3-dioxolane
SMILESCC1OC1C1OCCO1
InChIInChI=1S/C6H10O3/c1-4-5(9-4)6-7-2-3-8-6/h4-6H,2-3H2,1H3
InChIKeyUQGGOSGDZRZGJO-UHFFFAOYSA-N
XLogP0.15
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine
CID 544816
(3R)-2,3-dimethyl-1,4-dioxane
CID 134576356
2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 14814457
3-(1,3-dioxolan-2-yl)-4-methyl-7-oxabicyclo[4.1.0]heptane
CID 54041239
2-(3-phenyloxiran-2-yl)-1,3-dioxolane
CID 15785878
2-[(1S,2S,3R,4R)-3-methyl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane
CID 101236571
(3aR,5S,6S,6aR)-5-(1,3-dioxolan-2-yl)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 131036326
5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 118906429
8-methyl-1,5,7,9,12-pentaoxaspiro[5.6]dodecane
CID 142006895
(2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol
CID 124635550
(4R,5S)-4,5-dimethyl-1,3-dioxolane
CID 13085378
N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine
CID 167237186

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyloxiran-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(3-methyloxiran-2-yl)-1,3-dioxolane (CID 119097855) is 2-(3-methyloxiran-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-methyloxiran-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(3-methyloxiran-2-yl)-1,3-dioxolane is CC1OC1C1OCCO1.
What is the InChIKey of 2-(3-methyloxiran-2-yl)-1,3-dioxolane?
The InChIKey is UQGGOSGDZRZGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-5(9-4)6-7-2-3-8-6/h4-6H,2-3H2,1H3.
What are the key properties of 2-(3-methyloxiran-2-yl)-1,3-dioxolane?
2-(3-methyloxiran-2-yl)-1,3-dioxolane has a molecular weight of 130.14 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyloxiran-2-yl)-1,3-dioxolane is sourced from PubChem (CID 119097855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).