(2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane

C6H12O2 — CID 123779064

IUPAC(2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane
SMILESCOC[C@@H](C)[C@@H]1CO1
InChIInChI=1S/C6H12O2/c1-5(3-7-2)6-4-8-6/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyPEVCCLMWGCSIEC-RITPCOANSA-N
MW116.16 g/mol
LogP0.67
Rot. Bonds3

About (2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane

(2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane (PubChem CID 123779064) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane
PubChem CID123779064
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane
SMILESCOC[C@@H](C)[C@@H]1CO1
InChIInChI=1S/C6H12O2/c1-5(3-7-2)6-4-8-6/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyPEVCCLMWGCSIEC-RITPCOANSA-N
XLogP0.67
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-yloxirane;methane
CID 161408982
2-(3-methoxy-2-methylpropyl)oxirane
CID 54363358
2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane
CID 87443320
N-ethyl-2-(1-methoxypropan-2-yl)oxan-4-amine
CID 116503200
(2R)-2-[(1R)-1-methoxyethyl]oxirane
CID 124579088
1-methoxypropan-2-ylcyclopentane
CID 88998786
CID 21034205
CID 21034205
(3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol
CID 154474298
2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane
CID 177274035
[dimethyl-[3-(oxiran-2-yl)butyl]silyl]oxy-dimethyl-[3-(oxiran-2-yl)butyl]silane
CID 141482801
(2R)-2-[(1R)-1-(2-methylpropoxy)ethyl]oxirane
CID 129452601
(2S)-2-[(1R)-1-(2-methylpropoxy)ethyl]oxirane
CID 129452603

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane?
The IUPAC name of (2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane (CID 123779064) is (2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane.
What is the SMILES notation for (2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane?
The canonical SMILES for (2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane is COC[C@@H](C)[C@@H]1CO1.
What is the InChIKey of (2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane?
The InChIKey is PEVCCLMWGCSIEC-RITPCOANSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(3-7-2)6-4-8-6/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane?
(2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane has a molecular weight of 116.16 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane is sourced from PubChem (CID 123779064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).