(2S)-2-(2-methylpropoxy)oxirane

C6H12O2 — CID 89027461

IUPAC(2S)-2-(2-methylpropoxy)oxirane
SMILESCC(C)CO[C@H]1CO1
InChIInChI=1S/C6H12O2/c1-5(2)3-7-6-4-8-6/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyLJQOTOBEWVNQKF-ZCFIWIBFSA-N
MW116.16 g/mol
LogP1.02
Rot. Bonds3

About (2S)-2-(2-methylpropoxy)oxirane

(2S)-2-(2-methylpropoxy)oxirane (PubChem CID 89027461) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2S)-2-(2-methylpropoxy)oxirane.

Molecular Properties

Compound Name(2S)-2-(2-methylpropoxy)oxirane
PubChem CID89027461
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2S)-2-(2-methylpropoxy)oxirane
SMILESCC(C)CO[C@H]1CO1
InChIInChI=1S/C6H12O2/c1-5(2)3-7-6-4-8-6/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyLJQOTOBEWVNQKF-ZCFIWIBFSA-N
XLogP1.02
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 ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropoxy)oxirane?
The IUPAC name of (2S)-2-(2-methylpropoxy)oxirane (CID 89027461) is (2S)-2-(2-methylpropoxy)oxirane.
What is the SMILES notation for (2S)-2-(2-methylpropoxy)oxirane?
The canonical SMILES for (2S)-2-(2-methylpropoxy)oxirane is CC(C)CO[C@H]1CO1.
What is the InChIKey of (2S)-2-(2-methylpropoxy)oxirane?
The InChIKey is LJQOTOBEWVNQKF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(2)3-7-6-4-8-6/h5-6H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (2S)-2-(2-methylpropoxy)oxirane?
(2S)-2-(2-methylpropoxy)oxirane has a molecular weight of 116.16 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropoxy)oxirane is sourced from PubChem (CID 89027461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).