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

C13H20O3 — CID 21422022

IUPAC3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1COC1CCC2OC2C1
InChIInChI=1S/C13H20O3/c1-3-10-12(15-10)5-8(1)7-14-9-2-4-11-13(6-9)16-11/h8-13H,1-7H2
InChIKeyIOGKGAJGRMGHFL-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.89
Rot. Bonds3

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

3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane (PubChem CID 21422022) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane
PubChem CID21422022
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1COC1CCC2OC2C1
InChIInChI=1S/C13H20O3/c1-3-10-12(15-10)5-8(1)7-14-9-2-4-11-13(6-9)16-11/h8-13H,1-7H2
InChIKeyIOGKGAJGRMGHFL-UHFFFAOYSA-N
XLogP1.89
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Epoxycyclohexylmethyl-3,4-epoxycyclohexane
CID 129713770
Ethyleneoxy 3,4-epoxycyclohexane
CID 129774595
7-Oxabicyclo(4.1.0)heptane, 3-((oxiranylmethoxy)methyl)-
CID 13209911
4,4'-(Oxybis(methylene))bis(7-oxabicyclo(4.1.0)heptane)
CID 22381519
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-ylmethoxymethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 19420015
3,3'-[Oxybis(methylene)]bis(6-methyl-7-oxabicyclo[4.1.0]heptane)
CID 20158130
4-(7-Oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxetane-2,3'-7-oxabicyclo[4.1.0]heptane]
CID 20724005
[7-Oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane
CID 20764356
4-(Cyclohexylmethyl)-3,8-dioxatricyclo[5.1.0.02,4]octane
CID 21316388
3,3'-[Butane-1,4-diylbis(oxymethylene)]bis(7-oxabicyclo[4.1.0]heptane)
CID 21422024

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane (CID 21422022) is 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane is C1CC2OC2CC1COC1CCC2OC2C1.
What is the InChIKey of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is IOGKGAJGRMGHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-10-12(15-10)5-8(1)7-14-9-2-4-11-13(6-9)16-11/h8-13H,1-7H2.
What are the key properties of 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane?
3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 224.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 21422022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).