(1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol

C8H16O2 — CID 15321585

IUPAC(1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol
SMILESC[C@H](O)[C@@]1(C(C)(C)C)CO1
InChIInChI=1S/C8H16O2/c1-6(9)8(5-10-8)7(2,3)4/h6,9H,5H2,1-4H3/t6-,8+/m0/s1
InChIKeyABUJPVUZAOWZBQ-POYBYMJQSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds1

About (1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol

(1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol (PubChem CID 15321585) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol
PubChem CID15321585
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol
SMILESC[C@H](O)[C@@]1(C(C)(C)C)CO1
InChIInChI=1S/C8H16O2/c1-6(9)8(5-10-8)7(2,3)4/h6,9H,5H2,1-4H3/t6-,8+/m0/s1
InChIKeyABUJPVUZAOWZBQ-POYBYMJQSA-N
XLogP1.18
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
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 (1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol (CID 15321585) is (1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol is C[C@H](O)[C@@]1(C(C)(C)C)CO1.
What is the InChIKey of (1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol?
The InChIKey is ABUJPVUZAOWZBQ-POYBYMJQSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(9)8(5-10-8)7(2,3)4/h6,9H,5H2,1-4H3/t6-,8+/m0/s1.
What are the key properties of (1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol?
(1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol is sourced from PubChem (CID 15321585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).