(2S)-2-(diethoxymethyl)-2-methyloxirane

C8H16O3 — CID 101417400

IUPAC(2S)-2-(diethoxymethyl)-2-methyloxirane
SMILESCCOC(OCC)[C@]1(C)CO1
InChIInChI=1S/C8H16O3/c1-4-9-7(10-5-2)8(3)6-11-8/h7H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyUYSAXGZMDUDMMG-QMMMGPOBSA-N
MW160.21 g/mol
LogP1.17
Rot. Bonds5

About (2S)-2-(diethoxymethyl)-2-methyloxirane

(2S)-2-(diethoxymethyl)-2-methyloxirane (PubChem CID 101417400) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S)-2-(diethoxymethyl)-2-methyloxirane.

Molecular Properties

Compound Name(2S)-2-(diethoxymethyl)-2-methyloxirane
PubChem CID101417400
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S)-2-(diethoxymethyl)-2-methyloxirane
SMILESCCOC(OCC)[C@]1(C)CO1
InChIInChI=1S/C8H16O3/c1-4-9-7(10-5-2)8(3)6-11-8/h7H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyUYSAXGZMDUDMMG-QMMMGPOBSA-N
XLogP1.17
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol
CID 10909544
1-(1-ethoxyethyl)-4-methyl-2-oxabicyclo[2.2.2]octane
CID 89178455
2-methyl-2-pentan-2-yloxirane
CID 139725922
[2-(diethoxymethyl)-2-methyl-3-methylidenemorpholin-4-yl]-trimethylsilane
CID 142633154
N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine
CID 141353079
2-(1-chloroethyl)-2-methyloxirane
CID 15212719
2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine
CID 89212237
2-ethoxy-2-ethyloxirane
CID 87059736
diethoxymethyl-[3-(diethoxymethylsilyl)propyl]silane
CID 123160083
(1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol
CID 130866295
4-(2,2-diethoxyethyl)-4-ethylmorpholin-4-ium
CID 68589323
cyclopropane;diethoxymethanamine
CID 67531002

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethoxymethyl)-2-methyloxirane?
The IUPAC name of (2S)-2-(diethoxymethyl)-2-methyloxirane (CID 101417400) is (2S)-2-(diethoxymethyl)-2-methyloxirane.
What is the SMILES notation for (2S)-2-(diethoxymethyl)-2-methyloxirane?
The canonical SMILES for (2S)-2-(diethoxymethyl)-2-methyloxirane is CCOC(OCC)[C@]1(C)CO1.
What is the InChIKey of (2S)-2-(diethoxymethyl)-2-methyloxirane?
The InChIKey is UYSAXGZMDUDMMG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-9-7(10-5-2)8(3)6-11-8/h7H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-(diethoxymethyl)-2-methyloxirane?
(2S)-2-(diethoxymethyl)-2-methyloxirane has a molecular weight of 160.21 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethoxymethyl)-2-methyloxirane is sourced from PubChem (CID 101417400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).