2-[(2-methyloxiran-2-yl)methoxy]oxane

C9H16O3 — CID 71425923

IUPAC2-[(2-methyloxiran-2-yl)methoxy]oxane
SMILESCC1(COC2CCCCO2)CO1
InChIInChI=1S/C9H16O3/c1-9(7-12-9)6-11-8-4-2-3-5-10-8/h8H,2-7H2,1H3
InChIKeyNRCJAEFLKHHTEF-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.32
Rot. Bonds3

About 2-[(2-methyloxiran-2-yl)methoxy]oxane

2-[(2-methyloxiran-2-yl)methoxy]oxane (PubChem CID 71425923) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-[(2-methyloxiran-2-yl)methoxy]oxane.

Molecular Properties

Compound Name2-[(2-methyloxiran-2-yl)methoxy]oxane
PubChem CID71425923
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-[(2-methyloxiran-2-yl)methoxy]oxane
SMILESCC1(COC2CCCCO2)CO1
InChIInChI=1S/C9H16O3/c1-9(7-12-9)6-11-8-4-2-3-5-10-8/h8H,2-7H2,1H3
InChIKeyNRCJAEFLKHHTEF-UHFFFAOYSA-N
XLogP1.32
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.32
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-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane
CID 14172524
2-[(1,4-dimethylcyclohexyl)methoxy]oxane
CID 15471073
2,12-dimethyl-2,12-bis[2-(oxan-2-yloxy)ethoxymethyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 11410911
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane
CID 125486239
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane
CID 22336746
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxiran-2-yl)methoxy]oxane?
The IUPAC name of 2-[(2-methyloxiran-2-yl)methoxy]oxane (CID 71425923) is 2-[(2-methyloxiran-2-yl)methoxy]oxane.
What is the SMILES notation for 2-[(2-methyloxiran-2-yl)methoxy]oxane?
The canonical SMILES for 2-[(2-methyloxiran-2-yl)methoxy]oxane is CC1(COC2CCCCO2)CO1.
What is the InChIKey of 2-[(2-methyloxiran-2-yl)methoxy]oxane?
The InChIKey is NRCJAEFLKHHTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(7-12-9)6-11-8-4-2-3-5-10-8/h8H,2-7H2,1H3.
What are the key properties of 2-[(2-methyloxiran-2-yl)methoxy]oxane?
2-[(2-methyloxiran-2-yl)methoxy]oxane has a molecular weight of 172.22 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxiran-2-yl)methoxy]oxane is sourced from PubChem (CID 71425923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).