(2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane

C8H16O3 — CID 10241087

IUPAC(2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane
SMILESCC[C@@H]1O[C@@]1(C)COCOC
InChIInChI=1S/C8H16O3/c1-4-7-8(2,11-7)5-10-6-9-3/h7H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyMZMZFRLLHRYZDG-YUMQZZPRSA-N
MW160.21 g/mol
LogP1.17
Rot. Bonds5

About (2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane

(2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane (PubChem CID 10241087) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane.

Molecular Properties

Compound Name(2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane
PubChem CID10241087
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane
SMILESCC[C@@H]1O[C@@]1(C)COCOC
InChIInChI=1S/C8H16O3/c1-4-7-8(2,11-7)5-10-6-9-3/h7H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyMZMZFRLLHRYZDG-YUMQZZPRSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane?
The IUPAC name of (2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane (CID 10241087) is (2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane.
What is the SMILES notation for (2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane?
The canonical SMILES for (2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane is CC[C@@H]1O[C@@]1(C)COCOC.
What is the InChIKey of (2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane?
The InChIKey is MZMZFRLLHRYZDG-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-7-8(2,11-7)5-10-6-9-3/h7H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane?
(2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-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,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane is sourced from PubChem (CID 10241087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).