(3R)-2,2,3-trimethyloxirane

C5H10O — CID 6999849

IUPAC(3R)-2,2,3-trimethyloxirane
SMILESC[C@H]1OC1(C)C
InChIInChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m1/s1
InChIKeyQPBYBLZYMNWGMO-SCSAIBSYSA-N
MW86.13 g/mol
LogP1.18
Rot. Bonds

About (3R)-2,2,3-trimethyloxirane

(3R)-2,2,3-trimethyloxirane (PubChem CID 6999849) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is (3R)-2,2,3-trimethyloxirane.

Molecular Properties

Compound Name(3R)-2,2,3-trimethyloxirane
PubChem CID6999849
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name(3R)-2,2,3-trimethyloxirane
SMILESC[C@H]1OC1(C)C
InChIInChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m1/s1
InChIKeyQPBYBLZYMNWGMO-SCSAIBSYSA-N
XLogP1.18
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3R)-2,2,3-trimethyloxirane?
The IUPAC name of (3R)-2,2,3-trimethyloxirane (CID 6999849) is (3R)-2,2,3-trimethyloxirane.
What is the SMILES notation for (3R)-2,2,3-trimethyloxirane?
The canonical SMILES for (3R)-2,2,3-trimethyloxirane is C[C@H]1OC1(C)C.
What is the InChIKey of (3R)-2,2,3-trimethyloxirane?
The InChIKey is QPBYBLZYMNWGMO-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m1/s1.
What are the key properties of (3R)-2,2,3-trimethyloxirane?
(3R)-2,2,3-trimethyloxirane has a molecular weight of 86.13 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3-trimethyloxirane is sourced from PubChem (CID 6999849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).