(2S)-2-methyl-2-(2-propoxyethyl)oxirane

C8H16O2 — CID 10773103

IUPAC(2S)-2-methyl-2-(2-propoxyethyl)oxirane
SMILESCCCOCC[C@@]1(C)CO1
InChIInChI=1S/C8H16O2/c1-3-5-9-6-4-8(2)7-10-8/h3-7H2,1-2H3/t8-/m0/s1
InChIKeyPATZELNQRUOECK-QMMMGPOBSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds5

About (2S)-2-methyl-2-(2-propoxyethyl)oxirane

(2S)-2-methyl-2-(2-propoxyethyl)oxirane (PubChem CID 10773103) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S)-2-methyl-2-(2-propoxyethyl)oxirane.

Molecular Properties

Compound Name(2S)-2-methyl-2-(2-propoxyethyl)oxirane
PubChem CID10773103
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S)-2-methyl-2-(2-propoxyethyl)oxirane
SMILESCCCOCC[C@@]1(C)CO1
InChIInChI=1S/C8H16O2/c1-3-5-9-6-4-8(2)7-10-8/h3-7H2,1-2H3/t8-/m0/s1
InChIKeyPATZELNQRUOECK-QMMMGPOBSA-N
XLogP1.59
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-methyl-2-(2-propoxyethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(2-propoxyethoxymethyl)oxirane
CID 59969166
2-methyl-2-pentyloxirane
CID 559073
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-(pentoxymethyl)oxirane
CID 23468435
2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane
CID 59339950
2-(heptoxymethyl)-2-methyloxirane
CID 23468444
1-[1-(2-propoxyethyl)cyclopropyl]ethanone
CID 106797086
2-(2-methyloxiran-2-yl)ethyl 2,2-dimethylbutanoate
CID 23517797
ethane;propane;1-propoxypropane
CID 143757970
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-(2-propoxyethyl)oxirane?
The IUPAC name of (2S)-2-methyl-2-(2-propoxyethyl)oxirane (CID 10773103) is (2S)-2-methyl-2-(2-propoxyethyl)oxirane.
What is the SMILES notation for (2S)-2-methyl-2-(2-propoxyethyl)oxirane?
The canonical SMILES for (2S)-2-methyl-2-(2-propoxyethyl)oxirane is CCCOCC[C@@]1(C)CO1.
What is the InChIKey of (2S)-2-methyl-2-(2-propoxyethyl)oxirane?
The InChIKey is PATZELNQRUOECK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-9-6-4-8(2)7-10-8/h3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-2-(2-propoxyethyl)oxirane?
(2S)-2-methyl-2-(2-propoxyethyl)oxirane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-(2-propoxyethyl)oxirane is sourced from PubChem (CID 10773103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).