but-3-yn-2-yl prop-2-enyl carbonate

C8H10O3 — CID 100927907

IUPACbut-3-yn-2-yl prop-2-enyl carbonate
SMILESC#CC(C)OC(=O)OCC=C
InChIInChI=1S/C8H10O3/c1-4-6-10-8(9)11-7(3)5-2/h2,4,7H,1,6H2,3H3
InChIKeyLFEMNFRVRMCIPO-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.35
Rot. Bonds3

About but-3-yn-2-yl prop-2-enyl carbonate

but-3-yn-2-yl prop-2-enyl carbonate (PubChem CID 100927907) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is but-3-yn-2-yl prop-2-enyl carbonate.

Molecular Properties

Compound Namebut-3-yn-2-yl prop-2-enyl carbonate
PubChem CID100927907
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namebut-3-yn-2-yl prop-2-enyl carbonate
SMILESC#CC(C)OC(=O)OCC=C
InChIInChI=1S/C8H10O3/c1-4-6-10-8(9)11-7(3)5-2/h2,4,7H,1,6H2,3H3
InChIKeyLFEMNFRVRMCIPO-UHFFFAOYSA-N
XLogP1.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-yn-2-yl prop-2-enyl carbonate?
The IUPAC name of but-3-yn-2-yl prop-2-enyl carbonate (CID 100927907) is but-3-yn-2-yl prop-2-enyl carbonate.
What is the SMILES notation for but-3-yn-2-yl prop-2-enyl carbonate?
The canonical SMILES for but-3-yn-2-yl prop-2-enyl carbonate is C#CC(C)OC(=O)OCC=C.
What is the InChIKey of but-3-yn-2-yl prop-2-enyl carbonate?
The InChIKey is LFEMNFRVRMCIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-4-6-10-8(9)11-7(3)5-2/h2,4,7H,1,6H2,3H3.
What are the key properties of but-3-yn-2-yl prop-2-enyl carbonate?
but-3-yn-2-yl prop-2-enyl carbonate has a molecular weight of 154.16 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-yn-2-yl prop-2-enyl carbonate is sourced from PubChem (CID 100927907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).