(2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane

C8H14O3 — CID 134880591

IUPAC(2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane
SMILESC=CCOC[C@@H]1O[C@@H]1COC
InChIInChI=1S/C8H14O3/c1-3-4-10-6-8-7(11-8)5-9-2/h3,7-8H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyNIHHZTZUMTTYLP-SFYZADRCSA-N
MW158.20 g/mol
LogP0.60
Rot. Bonds6

About (2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane

(2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane (PubChem CID 134880591) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane.

Molecular Properties

Compound Name(2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane
PubChem CID134880591
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane
SMILESC=CCOC[C@@H]1O[C@@H]1COC
InChIInChI=1S/C8H14O3/c1-3-4-10-6-8-7(11-8)5-9-2/h3,7-8H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyNIHHZTZUMTTYLP-SFYZADRCSA-N
XLogP0.60
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane?
The IUPAC name of (2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane (CID 134880591) is (2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane.
What is the SMILES notation for (2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane?
The canonical SMILES for (2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane is C=CCOC[C@@H]1O[C@@H]1COC.
What is the InChIKey of (2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane?
The InChIKey is NIHHZTZUMTTYLP-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-10-6-8-7(11-8)5-9-2/h3,7-8H,1,4-6H2,2H3/t7-,8+/m1/s1.
What are the key properties of (2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane?
(2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane has a molecular weight of 158.20 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane is sourced from PubChem (CID 134880591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).