(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane

C12H16O2 — CID 165104713

IUPAC(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
SMILESCCC1O[C@@H]1COCc1ccccc1
InChIInChI=1S/C12H16O2/c1-2-11-12(14-11)9-13-8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3/t11?,12-/m1/s1
InChIKeyZLVBXUXQQHFAMD-PIJUOVFKSA-N
MW192.26 g/mol
LogP2.38
Rot. Bonds5

About (3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane

(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane (PubChem CID 165104713) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane.

Molecular Properties

Compound Name(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
PubChem CID165104713
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
SMILESCCC1O[C@@H]1COCc1ccccc1
InChIInChI=1S/C12H16O2/c1-2-11-12(14-11)9-13-8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3/t11?,12-/m1/s1
InChIKeyZLVBXUXQQHFAMD-PIJUOVFKSA-N
XLogP2.38
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[[(2S,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl]ethanamine
CID 101140300
trimethyl-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]silane
CID 11736511
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane
CID 167640329
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
(4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 11791160
methyl (2S,3R)-3-(phenylmethoxymethyl)oxirane-2-carboxylate
CID 101113540
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane
CID 71142584
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675

Frequently Asked Questions

What is the IUPAC name of (3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane?
The IUPAC name of (3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane (CID 165104713) is (3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane.
What is the SMILES notation for (3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane?
The canonical SMILES for (3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane is CCC1O[C@@H]1COCc1ccccc1.
What is the InChIKey of (3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane?
The InChIKey is ZLVBXUXQQHFAMD-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-11-12(14-11)9-13-8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3/t11?,12-/m1/s1.
What are the key properties of (3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane?
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane has a molecular weight of 192.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane is sourced from PubChem (CID 165104713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).