2-methyl-3-prop-1-en-2-yloxirane

C6H10O — CID 12522360

IUPAC2-methyl-3-prop-1-en-2-yloxirane
SMILESC=C(C)C1OC1C
InChIInChI=1S/C6H10O/c1-4(2)6-5(3)7-6/h5-6H,1H2,2-3H3
InChIKeyYFMGHAIIWYZAOP-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.35
Rot. Bonds1

About 2-methyl-3-prop-1-en-2-yloxirane

2-methyl-3-prop-1-en-2-yloxirane (PubChem CID 12522360) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2-methyl-3-prop-1-en-2-yloxirane.

Molecular Properties

Compound Name2-methyl-3-prop-1-en-2-yloxirane
PubChem CID12522360
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2-methyl-3-prop-1-en-2-yloxirane
SMILESC=C(C)C1OC1C
InChIInChI=1S/C6H10O/c1-4(2)6-5(3)7-6/h5-6H,1H2,2-3H3
InChIKeyYFMGHAIIWYZAOP-UHFFFAOYSA-N
XLogP1.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3,4-Epoxy-2-methyl-1-butene
CID 154909
(2S,3S)-2-Ethyl-3-isopropenyl-oxirane
CID 21723152
(2S)-2-(prop-1-en-2-yl)oxirane
CID 12553879
2-(2-Methylprop-2-en-1-yl)oxirane
CID 14966178
(2R)-2-(2-methylprop-2-enyl)oxirane
CID 25179944
2-Methylidene-6-oxabicyclo[3.1.0]hexane
CID 57234721
(2S,3S)-2-ethenyl-3-propan-2-yloxirane
CID 134928257
2-Ethyl-3-vinyloxirane
CID 534767
3-Methoxy-2-methyl-1-pentene
CID 558997
2-Ethyl-3-prop-1-en-2-yloxirane
CID 12522361
(2R,3S)-2-ethenyl-3-propan-2-yloxirane
CID 168085840
(2S,3S)-2-ethenyl-3-ethyloxirane
CID 134927722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-1-en-2-yloxirane?
The IUPAC name of 2-methyl-3-prop-1-en-2-yloxirane (CID 12522360) is 2-methyl-3-prop-1-en-2-yloxirane.
What is the SMILES notation for 2-methyl-3-prop-1-en-2-yloxirane?
The canonical SMILES for 2-methyl-3-prop-1-en-2-yloxirane is C=C(C)C1OC1C.
What is the InChIKey of 2-methyl-3-prop-1-en-2-yloxirane?
The InChIKey is YFMGHAIIWYZAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4(2)6-5(3)7-6/h5-6H,1H2,2-3H3.
What are the key properties of 2-methyl-3-prop-1-en-2-yloxirane?
2-methyl-3-prop-1-en-2-yloxirane has a molecular weight of 98.14 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-1-en-2-yloxirane is sourced from PubChem (CID 12522360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).