2-methyl-4-(oxiran-2-yl)oxane

C8H14O2 — CID 126541590

IUPAC2-methyl-4-(oxiran-2-yl)oxane
SMILESCC1CC(C2CO2)CCO1
InChIInChI=1S/C8H14O2/c1-6-4-7(2-3-9-6)8-5-10-8/h6-8H,2-5H2,1H3
InChIKeyUVRLBNUTMCLRSL-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.20
Rot. Bonds1

About 2-methyl-4-(oxiran-2-yl)oxane

2-methyl-4-(oxiran-2-yl)oxane (PubChem CID 126541590) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methyl-4-(oxiran-2-yl)oxane.

Molecular Properties

Compound Name2-methyl-4-(oxiran-2-yl)oxane
PubChem CID126541590
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-methyl-4-(oxiran-2-yl)oxane
SMILESCC1CC(C2CO2)CCO1
InChIInChI=1S/C8H14O2/c1-6-4-7(2-3-9-6)8-5-10-8/h6-8H,2-5H2,1H3
InChIKeyUVRLBNUTMCLRSL-UHFFFAOYSA-N
XLogP1.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2,4-dimethyloxane
CID 129313541
2,4-dimethyloxane;ethane
CID 143101228
5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 118906429
(3S)-3-[(2R)-oxiran-2-yl]oxolane
CID 94590793
acetonitrile;2,4-dimethyloxane
CID 144710823
(2-methyloxan-4-yl)phosphane
CID 156867096
acetylene;2,4-dimethyloxane
CID 142252938
4-methyl-3-oxabicyclo[4.1.0]heptane
CID 149125843
3,8-dioxabicyclo[4.2.0]octane
CID 83669972
(2S)-2-(4-methylcyclohexyl)oxirane
CID 146186873
2,4-dimethyloxane;methane;methanol
CID 145467505
(2S,4R)-2-methyl-4-propan-2-yloxane
CID 177186832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(oxiran-2-yl)oxane?
The IUPAC name of 2-methyl-4-(oxiran-2-yl)oxane (CID 126541590) is 2-methyl-4-(oxiran-2-yl)oxane.
What is the SMILES notation for 2-methyl-4-(oxiran-2-yl)oxane?
The canonical SMILES for 2-methyl-4-(oxiran-2-yl)oxane is CC1CC(C2CO2)CCO1.
What is the InChIKey of 2-methyl-4-(oxiran-2-yl)oxane?
The InChIKey is UVRLBNUTMCLRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-4-7(2-3-9-6)8-5-10-8/h6-8H,2-5H2,1H3.
What are the key properties of 2-methyl-4-(oxiran-2-yl)oxane?
2-methyl-4-(oxiran-2-yl)oxane has a molecular weight of 142.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(oxiran-2-yl)oxane is sourced from PubChem (CID 126541590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).