(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol

C6H12O2 — CID 10582772

IUPAC(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol
SMILESC[C@@H](O)[C@@H]1OC1(C)C
InChIInChI=1S/C6H12O2/c1-4(7)5-6(2,3)8-5/h4-5,7H,1-3H3/t4-,5+/m1/s1
InChIKeyYSDUPQNXIOJZPX-UHNVWZDZSA-N
MW116.16 g/mol
LogP0.54
Rot. Bonds1

About (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol

(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol (PubChem CID 10582772) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol
PubChem CID10582772
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol
SMILESC[C@@H](O)[C@@H]1OC1(C)C
InChIInChI=1S/C6H12O2/c1-4(7)5-6(2,3)8-5/h4-5,7H,1-3H3/t4-,5+/m1/s1
InChIKeyYSDUPQNXIOJZPX-UHNVWZDZSA-N
XLogP0.54
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.54
H-Bond Donors ≤ 51
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 (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol (CID 10582772) is (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol is C[C@@H](O)[C@@H]1OC1(C)C.
What is the InChIKey of (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol?
The InChIKey is YSDUPQNXIOJZPX-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H12O2/c1-4(7)5-6(2,3)8-5/h4-5,7H,1-3H3/t4-,5+/m1/s1.
What are the key properties of (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol?
(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol has a molecular weight of 116.16 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]ethanol is sourced from PubChem (CID 10582772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).