2-ethenyl-3-propan-2-yloxirane

C7H12O — CID 534739

IUPAC2-ethenyl-3-propan-2-yloxirane
SMILESC=CC1OC1C(C)C
InChIInChI=1S/C7H12O/c1-4-6-7(8-6)5(2)3/h4-7H,1H2,2-3H3
InChIKeyRFBDBLSVNCYCGP-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.60
Rot. Bonds2

About 2-ethenyl-3-propan-2-yloxirane

2-ethenyl-3-propan-2-yloxirane (PubChem CID 534739) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-ethenyl-3-propan-2-yloxirane.

Molecular Properties

Compound Name2-ethenyl-3-propan-2-yloxirane
PubChem CID534739
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-ethenyl-3-propan-2-yloxirane
SMILESC=CC1OC1C(C)C
InChIInChI=1S/C7H12O/c1-4-6-7(8-6)5(2)3/h4-7H,1H2,2-3H3
InChIKeyRFBDBLSVNCYCGP-UHFFFAOYSA-N
XLogP1.60
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.60
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-Ethenyl-2,2-dimethyloxirane
CID 12553880
(2S,3S)-2-ethenyl-3-propan-2-yloxirane
CID 134928257
2-Ethyl-3-vinyloxirane
CID 534767
2-Methyl-2,3-divinyloxirane
CID 548830
2-Ethenyl-2,3-dimethyloxirane
CID 12465978
2-Methyl-3-prop-1-en-2-yloxirane
CID 12522360
(2R,3S)-2-ethenyl-3-propan-2-yloxirane
CID 168085840
(2R,3S)-2-tert-butyl-3-ethenyloxirane
CID 10486856
2-Ethenyl-2-propyloxirane
CID 11423573
(2S,3S)-2-ethenyl-3-ethyloxirane
CID 134927722
(2S,3S)-2-propan-2-yl-3-prop-1-en-2-yloxirane
CID 134992722
6-Methyl-4-prop-2-enoxyhept-1-ene
CID 135084294

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-propan-2-yloxirane?
The IUPAC name of 2-ethenyl-3-propan-2-yloxirane (CID 534739) is 2-ethenyl-3-propan-2-yloxirane.
What is the SMILES notation for 2-ethenyl-3-propan-2-yloxirane?
The canonical SMILES for 2-ethenyl-3-propan-2-yloxirane is C=CC1OC1C(C)C.
What is the InChIKey of 2-ethenyl-3-propan-2-yloxirane?
The InChIKey is RFBDBLSVNCYCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-4-6-7(8-6)5(2)3/h4-7H,1H2,2-3H3.
What are the key properties of 2-ethenyl-3-propan-2-yloxirane?
2-ethenyl-3-propan-2-yloxirane has a molecular weight of 112.17 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-propan-2-yloxirane is sourced from PubChem (CID 534739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).