4-methyl-2-(3-methyloxiran-2-yl)oxane

C9H16O2 — CID 138963035

IUPAC4-methyl-2-(3-methyloxiran-2-yl)oxane
SMILESCC1CCOC(C2OC2C)C1
InChIInChI=1S/C9H16O2/c1-6-3-4-10-8(5-6)9-7(2)11-9/h6-9H,3-5H2,1-2H3
InChIKeyUHESPMSUASYBMX-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.59
Rot. Bonds1

About 4-methyl-2-(3-methyloxiran-2-yl)oxane

4-methyl-2-(3-methyloxiran-2-yl)oxane (PubChem CID 138963035) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-methyl-2-(3-methyloxiran-2-yl)oxane.

Molecular Properties

Compound Name4-methyl-2-(3-methyloxiran-2-yl)oxane
PubChem CID138963035
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-methyl-2-(3-methyloxiran-2-yl)oxane
SMILESCC1CCOC(C2OC2C)C1
InChIInChI=1S/C9H16O2/c1-6-3-4-10-8(5-6)9-7(2)11-9/h6-9H,3-5H2,1-2H3
InChIKeyUHESPMSUASYBMX-UHFFFAOYSA-N
XLogP1.59
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.59
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

2-Ethylhexyl glycidyl ether
CID 17162
Oxirane, 2-[[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]methyl]-
CID 11458526
Oxirane, 2-[[(6-methylheptyl)oxy]methyl]-
CID 22571168
(1R,5R,6R)-5-(cyclohexylmethyl)-3,4,7-trioxabicyclo[4.1.0]heptane
CID 11481035
2-(((2-Ethylcyclohexyl)oxy)methyl)oxirane
CID 24704778
(1S,2R,6S)-2-(cyclohexylmethyl)-3,4,7-trioxabicyclo[4.1.0]heptane
CID 11481034
(1S,6R)-6-hexyl-3,4,7-trioxabicyclo[4.1.0]heptane
CID 16727788
(4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane
CID 75525024
2-[(Cyclohexylmethoxy)methyl]oxirane
CID 11435189
1-Pentyl-3,6-dioxabicyclo[3.1.0]hexane
CID 12022127
Isostearyl glycidyl ether
CID 22622804
[(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol
CID 44517874

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyloxiran-2-yl)oxane?
The IUPAC name of 4-methyl-2-(3-methyloxiran-2-yl)oxane (CID 138963035) is 4-methyl-2-(3-methyloxiran-2-yl)oxane.
What is the SMILES notation for 4-methyl-2-(3-methyloxiran-2-yl)oxane?
The canonical SMILES for 4-methyl-2-(3-methyloxiran-2-yl)oxane is CC1CCOC(C2OC2C)C1.
What is the InChIKey of 4-methyl-2-(3-methyloxiran-2-yl)oxane?
The InChIKey is UHESPMSUASYBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-3-4-10-8(5-6)9-7(2)11-9/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-(3-methyloxiran-2-yl)oxane?
4-methyl-2-(3-methyloxiran-2-yl)oxane has a molecular weight of 156.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyloxiran-2-yl)oxane is sourced from PubChem (CID 138963035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).