3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane

C18H26O5 — CID 57205693

IUPAC3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1C(OC(C1CCC2OC2C1)C1CO1)C1CO1
InChIInChI=1S/C18H26O5/c1-3-11-13(21-11)5-9(1)17(15-7-19-15)23-18(16-8-20-16)10-2-4-12-14(6-10)22-12/h9-18H,1-8H2
InChIKeyMXTIPOWBCMMMKP-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.67
Rot. Bonds6

About 3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane

3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 57205693) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is 3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID57205693
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1C(OC(C1CCC2OC2C1)C1CO1)C1CO1
InChIInChI=1S/C18H26O5/c1-3-11-13(21-11)5-9(1)17(15-7-19-15)23-18(16-8-20-16)10-2-4-12-14(6-10)22-12/h9-18H,1-8H2
InChIKeyMXTIPOWBCMMMKP-UHFFFAOYSA-N
XLogP1.67
TPSA59.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane (CID 57205693) is 3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane is C1CC2OC2CC1C(OC(C1CCC2OC2C1)C1CO1)C1CO1.
What is the InChIKey of 3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is MXTIPOWBCMMMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-3-11-13(21-11)5-9(1)17(15-7-19-15)23-18(16-8-20-16)10-2-4-12-14(6-10)22-12/h9-18H,1-8H2.
What are the key properties of 3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane?
3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 322.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 57205693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).