(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'}

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Related Compounds

bis[(2R,3S)-3-methyloxiran-2-yl]methanone
CID 11804851
N,3-dimethyloxirane-2-carboxamide;ethene
CID 159367774
sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid
CID 175249214
1-(3-methyloxiran-2-yl)but-3-en-1-one
CID 45120318
1-[(2S,3R)-3-methyloxiran-2-yl]propan-1-one
CID 15197386
[(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid
CID 10487243
2-chloro-3-methyloxirane;methanol
CID 174638567
(2S,3S)-N,N-diethyl-3-methyloxirane-2-carboxamide
CID 45084480
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
N-methoxy-N,3-dimethyloxirane-2-carboxamide
CID 71435783
4-methyl-5-prop-1-en-2-yloxolan-2-ol
CID 14174436
2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol
CID 115817336

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).