ethane;3-(methoxymethyl)oxetane

C7H16O2 — CID 162747020

IUPACethane;3-(methoxymethyl)oxetane
SMILESCC.COCC1COC1
InChIInChI=1S/C5H10O2.C2H6/c1-6-2-5-3-7-4-5;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyPFRJSOFHJMPSGF-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.31
Rot. Bonds2

About ethane;3-(methoxymethyl)oxetane

ethane;3-(methoxymethyl)oxetane (PubChem CID 162747020) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is ethane;3-(methoxymethyl)oxetane.

Molecular Properties

Compound Nameethane;3-(methoxymethyl)oxetane
PubChem CID162747020
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Nameethane;3-(methoxymethyl)oxetane
SMILESCC.COCC1COC1
InChIInChI=1S/C5H10O2.C2H6/c1-6-2-5-3-7-4-5;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyPFRJSOFHJMPSGF-UHFFFAOYSA-N
XLogP1.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(methoxymethyl)oxetane?
The IUPAC name of ethane;3-(methoxymethyl)oxetane (CID 162747020) is ethane;3-(methoxymethyl)oxetane.
What is the SMILES notation for ethane;3-(methoxymethyl)oxetane?
The canonical SMILES for ethane;3-(methoxymethyl)oxetane is CC.COCC1COC1.
What is the InChIKey of ethane;3-(methoxymethyl)oxetane?
The InChIKey is PFRJSOFHJMPSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C2H6/c1-6-2-5-3-7-4-5;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;3-(methoxymethyl)oxetane?
ethane;3-(methoxymethyl)oxetane has a molecular weight of 132.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(methoxymethyl)oxetane is sourced from PubChem (CID 162747020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).