3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane

C16H26O4 — CID 141099335

IUPAC3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane
SMILESCCC(OOCC1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C16H26O4/c1-2-12(11-4-6-14-16(8-11)19-14)20-17-9-10-3-5-13-15(7-10)18-13/h10-16H,2-9H2,1H3
InChIKeyJGVGSRAIEIXWJO-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.85
Rot. Bonds6

About 3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane

3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 141099335) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID141099335
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane
SMILESCCC(OOCC1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C16H26O4/c1-2-12(11-4-6-14-16(8-11)19-14)20-17-9-10-3-5-13-15(7-10)18-13/h10-16H,2-9H2,1H3
InChIKeyJGVGSRAIEIXWJO-UHFFFAOYSA-N
XLogP2.85
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane with MolForge

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Related Compounds

3-(ethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 23517822
3-[4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 21422024
diethoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]silane;dimethoxy-methyl-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane
CID 159341783
3-(3-methylpentyl)-7-oxabicyclo[4.1.0]heptane
CID 129014317
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2,3,3-trimethylhexanoate
CID 118214259
CID 45052171
CID 45052171
3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yloxy]hexyl]-7-oxabicyclo[4.1.0]heptane
CID 87897835
2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)ethyl acetate
CID 59735622
cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane
CID 174896881
triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane
CID 22169296
tributoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane
CID 22169291
trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate
CID 174784133

Frequently Asked Questions

What is the IUPAC name of 3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane (CID 141099335) is 3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane is CCC(OOCC1CCC2OC2C1)C1CCC2OC2C1.
What is the InChIKey of 3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is JGVGSRAIEIXWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-2-12(11-4-6-14-16(8-11)19-14)20-17-9-10-3-5-13-15(7-10)18-13/h10-16H,2-9H2,1H3.
What are the key properties of 3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane?
3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 282.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxy)propyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 141099335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).