3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane

C10H18O3 — CID 54009587

IUPAC3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane
SMILESCOCOCC1CC2OC2CC1C
InChIInChI=1S/C10H18O3/c1-7-3-9-10(13-9)4-8(7)5-12-6-11-2/h7-10H,3-6H2,1-2H3
InChIKeyKRITTWRBUFWESP-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.42
Rot. Bonds4

About 3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane

3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 54009587) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane
PubChem CID54009587
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane
SMILESCOCOCC1CC2OC2CC1C
InChIInChI=1S/C10H18O3/c1-7-3-9-10(13-9)4-8(7)5-12-6-11-2/h7-10H,3-6H2,1-2H3
InChIKeyKRITTWRBUFWESP-UHFFFAOYSA-N
XLogP1.42
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane (CID 54009587) is 3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane is COCOCC1CC2OC2CC1C.
What is the InChIKey of 3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is KRITTWRBUFWESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-3-9-10(13-9)4-8(7)5-12-6-11-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane?
3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 186.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxymethyl)-4-methyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 54009587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).