3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane

C20H30O5 — CID 54299484

IUPAC3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1CC(OC(CC1CCC2OC2C1)C1CO1)C1CO1
InChIInChI=1S/C20H30O5/c1-3-13-15(23-13)5-11(1)7-17(19-9-21-19)25-18(20-10-22-20)8-12-2-4-14-16(6-12)24-14/h11-20H,1-10H2
InChIKeySDELCVHQVLUXFL-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.45
Rot. Bonds8

About 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane

3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 54299484) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID54299484
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Name3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1CC(OC(CC1CCC2OC2C1)C1CO1)C1CO1
InChIInChI=1S/C20H30O5/c1-3-13-15(23-13)5-11(1)7-17(19-9-21-19)25-18(20-10-22-20)8-12-2-4-14-16(6-12)24-14/h11-20H,1-10H2
InChIKeySDELCVHQVLUXFL-UHFFFAOYSA-N
XLogP2.45
TPSA59.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane with MolForge

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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-Methyl-4-[2-[2-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethoxy]ethoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 20533676
2-[2-[2-Hydroxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]-3-propoxypropoxy]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethanol
CID 20743144
4-(Cyclohexylmethyl)-3,8-dioxatricyclo[5.1.0.02,4]octane
CID 21316388
3-(7-Oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxabicyclo[4.1.0]heptane
CID 21422022
3,3'-[Butane-1,4-diylbis(oxymethylene)]bis(7-oxabicyclo[4.1.0]heptane)
CID 21422024
3-Methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 21540786

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane (CID 54299484) is 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane is C1CC2OC2CC1CC(OC(CC1CCC2OC2C1)C1CO1)C1CO1.
What is the InChIKey of 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is SDELCVHQVLUXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O5/c1-3-13-15(23-13)5-11(1)7-17(19-9-21-19)25-18(20-10-22-20)8-12-2-4-14-16(6-12)24-14/h11-20H,1-10H2.
What are the key properties of 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane?
3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 350.46 g/mol, XLogP of 2.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 54299484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).