(2S)-2-(chloromethyl)-2-methyloxirane

C4H7ClO — CID 7164677

IUPAC(2S)-2-(chloromethyl)-2-methyloxirane
SMILESC[C@@]1(CCl)CO1
InChIInChI=1S/C4H7ClO/c1-4(2-5)3-6-4/h2-3H2,1H3/t4-/m1/s1
InChIKeyVVHFXJOCUKBZFS-SCSAIBSYSA-N
MW106.55 g/mol
LogP1.01
Rot. Bonds1

About (2S)-2-(chloromethyl)-2-methyloxirane

(2S)-2-(chloromethyl)-2-methyloxirane (PubChem CID 7164677) has the molecular formula C4H7ClO and a molecular weight of 106.55 g/mol. Its IUPAC name is (2S)-2-(chloromethyl)-2-methyloxirane.

Molecular Properties

Compound Name(2S)-2-(chloromethyl)-2-methyloxirane
PubChem CID7164677
Molecular FormulaC4H7ClO
Molecular Weight106.55 g/mol
Exact Mass106.02
IUPAC Name(2S)-2-(chloromethyl)-2-methyloxirane
SMILESC[C@@]1(CCl)CO1
InChIInChI=1S/C4H7ClO/c1-4(2-5)3-6-4/h2-3H2,1H3/t4-/m1/s1
InChIKeyVVHFXJOCUKBZFS-SCSAIBSYSA-N
XLogP1.01
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.55
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(chloromethyl)-2-methyloxirane?
The IUPAC name of (2S)-2-(chloromethyl)-2-methyloxirane (CID 7164677) is (2S)-2-(chloromethyl)-2-methyloxirane.
What is the SMILES notation for (2S)-2-(chloromethyl)-2-methyloxirane?
The canonical SMILES for (2S)-2-(chloromethyl)-2-methyloxirane is C[C@@]1(CCl)CO1.
What is the InChIKey of (2S)-2-(chloromethyl)-2-methyloxirane?
The InChIKey is VVHFXJOCUKBZFS-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H7ClO/c1-4(2-5)3-6-4/h2-3H2,1H3/t4-/m1/s1.
What are the key properties of (2S)-2-(chloromethyl)-2-methyloxirane?
(2S)-2-(chloromethyl)-2-methyloxirane has a molecular weight of 106.55 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(chloromethyl)-2-methyloxirane is sourced from PubChem (CID 7164677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).