2-chloro-3-methyl-2-prop-2-enyloxirane

C6H9ClO — CID 174855099

IUPAC2-chloro-3-methyl-2-prop-2-enyloxirane
SMILESC=CCC1(Cl)OC1C
InChIInChI=1S/C6H9ClO/c1-3-4-6(7)5(2)8-6/h3,5H,1,4H2,2H3
InChIKeyDULJTTOPQOLINL-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.92
Rot. Bonds2

About 2-chloro-3-methyl-2-prop-2-enyloxirane

2-chloro-3-methyl-2-prop-2-enyloxirane (PubChem CID 174855099) has the molecular formula C6H9ClO and a molecular weight of 132.59 g/mol. Its IUPAC name is 2-chloro-3-methyl-2-prop-2-enyloxirane.

Molecular Properties

Compound Name2-chloro-3-methyl-2-prop-2-enyloxirane
PubChem CID174855099
Molecular FormulaC6H9ClO
Molecular Weight132.59 g/mol
Exact Mass132.03
IUPAC Name2-chloro-3-methyl-2-prop-2-enyloxirane
SMILESC=CCC1(Cl)OC1C
InChIInChI=1S/C6H9ClO/c1-3-4-6(7)5(2)8-6/h3,5H,1,4H2,2H3
InChIKeyDULJTTOPQOLINL-UHFFFAOYSA-N
XLogP1.92
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-3-prop-2-enyloxirane
CID 14740383
2-(1-Chlorobut-3-enyl)oxirane
CID 21552564
2-Chloro-2-prop-2-enyloxirane
CID 88743084
(2S,3S)-2-methyl-3-prop-2-enyloxirane
CID 101731104
(2R,3R)-2-methyl-3-prop-2-enyloxirane
CID 173464915
2-(Chloromethyl)-3-(prop-2-en-1-yl)oxirane
CID 13354447
(2R,3S)-2-methyl-3-prop-2-enyloxirane
CID 77520493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-2-prop-2-enyloxirane?
The IUPAC name of 2-chloro-3-methyl-2-prop-2-enyloxirane (CID 174855099) is 2-chloro-3-methyl-2-prop-2-enyloxirane.
What is the SMILES notation for 2-chloro-3-methyl-2-prop-2-enyloxirane?
The canonical SMILES for 2-chloro-3-methyl-2-prop-2-enyloxirane is C=CCC1(Cl)OC1C.
What is the InChIKey of 2-chloro-3-methyl-2-prop-2-enyloxirane?
The InChIKey is DULJTTOPQOLINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO/c1-3-4-6(7)5(2)8-6/h3,5H,1,4H2,2H3.
What are the key properties of 2-chloro-3-methyl-2-prop-2-enyloxirane?
2-chloro-3-methyl-2-prop-2-enyloxirane has a molecular weight of 132.59 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-2-prop-2-enyloxirane is sourced from PubChem (CID 174855099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).