5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran

C10H12O — CID 143076954

IUPAC5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran
SMILESC#C[C@@H](C)c1cc(C)c(C)o1
InChIInChI=1S/C10H12O/c1-5-7(2)10-6-8(3)9(4)11-10/h1,6-7H,2-4H3/t7-/m1/s1
InChIKeyITXYZKXSUGVZOQ-SSDOTTSWSA-N
MW148.20 g/mol
LogP2.63
Rot. Bonds1

About 5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran

5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran (PubChem CID 143076954) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran.

Molecular Properties

Compound Name5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran
PubChem CID143076954
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran
SMILESC#C[C@@H](C)c1cc(C)c(C)o1
InChIInChI=1S/C10H12O/c1-5-7(2)10-6-8(3)9(4)11-10/h1,6-7H,2-4H3/t7-/m1/s1
InChIKeyITXYZKXSUGVZOQ-SSDOTTSWSA-N
XLogP2.63
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran?
The IUPAC name of 5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran (CID 143076954) is 5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran.
What is the SMILES notation for 5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran?
The canonical SMILES for 5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran is C#C[C@@H](C)c1cc(C)c(C)o1.
What is the InChIKey of 5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran?
The InChIKey is ITXYZKXSUGVZOQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12O/c1-5-7(2)10-6-8(3)9(4)11-10/h1,6-7H,2-4H3/t7-/m1/s1.
What are the key properties of 5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran?
5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran has a molecular weight of 148.20 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran is sourced from PubChem (CID 143076954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).