3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane

C14H22O4 — CID 22957595

IUPAC3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1COOCC1CCC2OC2C1
InChIInChI=1S/C14H22O4/c1-3-11-13(17-11)5-9(1)7-15-16-8-10-2-4-12-14(6-10)18-12/h9-14H,1-8H2
InChIKeyCRHWAAWANYLRFY-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.07
Rot. Bonds5

About 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane

3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 22957595) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane
PubChem CID22957595
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1COOCC1CCC2OC2C1
InChIInChI=1S/C14H22O4/c1-3-11-13(17-11)5-9(1)7-15-16-8-10-2-4-12-14(6-10)18-12/h9-14H,1-8H2
InChIKeyCRHWAAWANYLRFY-UHFFFAOYSA-N
XLogP2.07
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Vinyl cyclohexene dioxide
CID 7833
Epoxycyclohexylmethyl-3,4-epoxycyclohexane
CID 129713770
Ethyleneoxy 3,4-epoxycyclohexane
CID 129774595
4,4'-(Oxybis(methylene))bis(7-oxabicyclo(4.1.0)heptane)
CID 22381519
3-[[1,1,2,2,3,3,4,4-Octafluoro-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butoxy]methyl]-7-oxabicyclo[4.1.0]heptane
CID 58895073
3-[[1,1,2,2,4,4-Hexafluoro-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butoxy]methyl]-7-oxabicyclo[4.1.0]heptane
CID 88972121
(1R,6R)-3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 91311508
3-Methyl-4-[(7-oxabicyclo[4.1.0]hept-3-ylmethoxy)methyl]-7-oxabicyclo[4.1.0]heptane
CID 235377
3-[2-(7-Oxabicyclo[4.1.0]heptan-3-ylmethoxy)ethoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 13627563
3-(7-Oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
CID 18769249
3-(7-Oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 19420015
3-[2-(7-Oxabicyclo[4.1.0]heptan-3-ylmethoxy)propan-2-yloxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 19420016

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane (CID 22957595) is 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane is C1CC2OC2CC1COOCC1CCC2OC2C1.
What is the InChIKey of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is CRHWAAWANYLRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-11-13(17-11)5-9(1)7-15-16-8-10-2-4-12-14(6-10)18-12/h9-14H,1-8H2.
What are the key properties of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane?
3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 254.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 22957595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).