(1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol

C10H14O2 — CID 58223637

IUPAC(1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol
SMILESC=C(C)C[C@]1([C@H](O)C#CC)CO1
InChIInChI=1S/C10H14O2/c1-4-5-9(11)10(7-12-10)6-8(2)3/h9,11H,2,6-7H2,1,3H3/t9-,10-/m1/s1
InChIKeyYWTFFEIETYLYFA-NXEZZACHSA-N
MW166.22 g/mol
LogP1.11
Rot. Bonds3

About (1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol

(1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol (PubChem CID 58223637) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol
PubChem CID58223637
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol
SMILESC=C(C)C[C@]1([C@H](O)C#CC)CO1
InChIInChI=1S/C10H14O2/c1-4-5-9(11)10(7-12-10)6-8(2)3/h9,11H,2,6-7H2,1,3H3/t9-,10-/m1/s1
InChIKeyYWTFFEIETYLYFA-NXEZZACHSA-N
XLogP1.11
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol?
The IUPAC name of (1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol (CID 58223637) is (1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol.
What is the SMILES notation for (1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol?
The canonical SMILES for (1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol is C=C(C)C[C@]1([C@H](O)C#CC)CO1.
What is the InChIKey of (1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol?
The InChIKey is YWTFFEIETYLYFA-NXEZZACHSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-5-9(11)10(7-12-10)6-8(2)3/h9,11H,2,6-7H2,1,3H3/t9-,10-/m1/s1.
What are the key properties of (1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol?
(1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-yn-1-ol is sourced from PubChem (CID 58223637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).