3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane

C8H14O2 — CID 20675020

IUPAC3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane
SMILESCOCC1CCC2OC2C1
InChIInChI=1S/C8H14O2/c1-9-5-6-2-3-7-8(4-6)10-7/h6-8H,2-5H2,1H3
InChIKeyJUBOISWHAUYTDY-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.20
Rot. Bonds2

About 3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane

3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 20675020) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane
PubChem CID20675020
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane
SMILESCOCC1CCC2OC2C1
InChIInChI=1S/C8H14O2/c1-9-5-6-2-3-7-8(4-6)10-7/h6-8H,2-5H2,1H3
InChIKeyJUBOISWHAUYTDY-UHFFFAOYSA-N
XLogP1.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane (CID 20675020) is 3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane is COCC1CCC2OC2C1.
What is the InChIKey of 3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is JUBOISWHAUYTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-9-5-6-2-3-7-8(4-6)10-7/h6-8H,2-5H2,1H3.
What are the key properties of 3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane?
3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 142.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 20675020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).