2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane

C9H14O3 — CID 59502486

IUPAC2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane
SMILESC1OC1COC1CC2CCC1O2
InChIInChI=1S/C9H14O3/c1-2-8-9(3-6(1)12-8)11-5-7-4-10-7/h6-9H,1-5H2
InChIKeyUOINLVYFLHKIQA-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.72
Rot. Bonds3

About 2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane

2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane (PubChem CID 59502486) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane
PubChem CID59502486
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane
SMILESC1OC1COC1CC2CCC1O2
InChIInChI=1S/C9H14O3/c1-2-8-9(3-6(1)12-8)11-5-7-4-10-7/h6-9H,1-5H2
InChIKeyUOINLVYFLHKIQA-UHFFFAOYSA-N
XLogP0.72
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.72
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

(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
CID 129448945
2-methylsulfanyl-6-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane
CID 89213655
(3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 21139666
(6R)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163672850
2-methyl-3-(oxiran-2-ylmethoxy)oxetane
CID 175220948
2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-9-oxabicyclo[3.3.1]nonane
CID 89028022
6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane
CID 59502485
3-(oxiran-2-ylmethoxy)oxiran-2-ol
CID 141311016
CID 59015329
CID 59015329
CID 175781698
CID 175781698
2,6-dioxatricyclo[3.3.2.03,7]decane
CID 12591241
2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane
CID 58519968

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane (CID 59502486) is 2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane is C1OC1COC1CC2CCC1O2.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane?
The InChIKey is UOINLVYFLHKIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-8-9(3-6(1)12-8)11-5-7-4-10-7/h6-9H,1-5H2.
What are the key properties of 2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane?
2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane has a molecular weight of 170.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 59502486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).