(2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane

C8H12O2 — CID 11126341

IUPAC(2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane
SMILESC=C([C@@H]1O[C@H]1C)[C@@H]1O[C@H]1C
InChIInChI=1S/C8H12O2/c1-4(7-5(2)9-7)8-6(3)10-8/h5-8H,1H2,2-3H3/t5-,6-,7-,8-/m0/s1
InChIKeyPUQKYPZQQCNYLG-XAMCCFCMSA-N
MW140.18 g/mol
LogP1.12
Rot. Bonds2

About (2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane

(2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane (PubChem CID 11126341) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane
PubChem CID11126341
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane
SMILESC=C([C@@H]1O[C@H]1C)[C@@H]1O[C@H]1C
InChIInChI=1S/C8H12O2/c1-4(7-5(2)9-7)8-6(3)10-8/h5-8H,1H2,2-3H3/t5-,6-,7-,8-/m0/s1
InChIKeyPUQKYPZQQCNYLG-XAMCCFCMSA-N
XLogP1.12
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane?
The IUPAC name of (2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane (CID 11126341) is (2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane.
What is the SMILES notation for (2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane?
The canonical SMILES for (2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane is C=C([C@@H]1O[C@H]1C)[C@@H]1O[C@H]1C.
What is the InChIKey of (2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane?
The InChIKey is PUQKYPZQQCNYLG-XAMCCFCMSA-N. The full InChI is InChI=1S/C8H12O2/c1-4(7-5(2)9-7)8-6(3)10-8/h5-8H,1H2,2-3H3/t5-,6-,7-,8-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane?
(2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane has a molecular weight of 140.18 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane is sourced from PubChem (CID 11126341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).