3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol

C7H10O2 — CID 130618568

IUPAC3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol
SMILESC[C@@H]1O[C@@]1(C)C#CCO
InChIInChI=1S/C7H10O2/c1-6-7(2,9-6)4-3-5-8/h6,8H,5H2,1-2H3/t6-,7-/m0/s1
InChIKeyWYWSMNQVXSIHBJ-BQBZGAKWSA-N
MW126.15 g/mol
LogP0.16
Rot. Bonds

About 3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol

3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol (PubChem CID 130618568) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol
PubChem CID130618568
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol
SMILESC[C@@H]1O[C@@]1(C)C#CCO
InChIInChI=1S/C7H10O2/c1-6-7(2,9-6)4-3-5-8/h6,8H,5H2,1-2H3/t6-,7-/m0/s1
InChIKeyWYWSMNQVXSIHBJ-BQBZGAKWSA-N
XLogP0.16
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol (CID 130618568) is 3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol is C[C@@H]1O[C@@]1(C)C#CCO.
What is the InChIKey of 3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol?
The InChIKey is WYWSMNQVXSIHBJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H10O2/c1-6-7(2,9-6)4-3-5-8/h6,8H,5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of 3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol?
3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol has a molecular weight of 126.15 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 130618568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).