prop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate

C10H12O5 — CID 134599659

IUPACprop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate
SMILESC#CCOC(=O)C1OC(=O)OC1C(C)C
InChIInChI=1S/C10H12O5/c1-4-5-13-9(11)8-7(6(2)3)14-10(12)15-8/h1,6-8H,5H2,2-3H3
InChIKeyFWWWTTQXLNOBGL-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.72
Rot. Bonds3

About prop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate

prop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate (PubChem CID 134599659) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is prop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Nameprop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate
PubChem CID134599659
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Nameprop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate
SMILESC#CCOC(=O)C1OC(=O)OC1C(C)C
InChIInChI=1S/C10H12O5/c1-4-5-13-9(11)8-7(6(2)3)14-10(12)15-8/h1,6-8H,5H2,2-3H3
InChIKeyFWWWTTQXLNOBGL-UHFFFAOYSA-N
XLogP0.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 prop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate?
The IUPAC name of prop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate (CID 134599659) is prop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for prop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for prop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate is C#CCOC(=O)C1OC(=O)OC1C(C)C.
What is the InChIKey of prop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate?
The InChIKey is FWWWTTQXLNOBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-4-5-13-9(11)8-7(6(2)3)14-10(12)15-8/h1,6-8H,5H2,2-3H3.
What are the key properties of prop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate?
prop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 2-oxo-5-propan-2-yl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).