(2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane

C8H14O3 — CID 102020985

IUPAC(2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane
SMILESCOC[C@@H]1C2OC2[C@@H]1COC
InChIInChI=1S/C8H14O3/c1-9-3-5-6(4-10-2)8-7(5)11-8/h5-8H,3-4H2,1-2H3/t5-,6+,7?,8?
InChIKeyYRHFQJVMLYVGMX-XEDAXZNXSA-N
MW158.20 g/mol
LogP0.29
Rot. Bonds4

About (2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane

(2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane (PubChem CID 102020985) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane.

Molecular Properties

Compound Name(2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane
PubChem CID102020985
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane
SMILESCOC[C@@H]1C2OC2[C@@H]1COC
InChIInChI=1S/C8H14O3/c1-9-3-5-6(4-10-2)8-7(5)11-8/h5-8H,3-4H2,1-2H3/t5-,6+,7?,8?
InChIKeyYRHFQJVMLYVGMX-XEDAXZNXSA-N
XLogP0.29
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.29
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane?
The IUPAC name of (2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane (CID 102020985) is (2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane.
What is the SMILES notation for (2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane?
The canonical SMILES for (2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane is COC[C@@H]1C2OC2[C@@H]1COC.
What is the InChIKey of (2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane?
The InChIKey is YRHFQJVMLYVGMX-XEDAXZNXSA-N. The full InChI is InChI=1S/C8H14O3/c1-9-3-5-6(4-10-2)8-7(5)11-8/h5-8H,3-4H2,1-2H3/t5-,6+,7?,8?.
What are the key properties of (2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane?
(2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane has a molecular weight of 158.20 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane is sourced from PubChem (CID 102020985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).