prop-2-enyl 2-prop-2-enoxypropanoate

C9H14O3 — CID 59069801

IUPACprop-2-enyl 2-prop-2-enoxypropanoate
SMILESC=CCOC(=O)C(C)OCC=C
InChIInChI=1S/C9H14O3/c1-4-6-11-8(3)9(10)12-7-5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyICQXXOGHIWHQAO-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.31
Rot. Bonds6

About prop-2-enyl 2-prop-2-enoxypropanoate

prop-2-enyl 2-prop-2-enoxypropanoate (PubChem CID 59069801) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is prop-2-enyl 2-prop-2-enoxypropanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-prop-2-enoxypropanoate
PubChem CID59069801
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameprop-2-enyl 2-prop-2-enoxypropanoate
SMILESC=CCOC(=O)C(C)OCC=C
InChIInChI=1S/C9H14O3/c1-4-6-11-8(3)9(10)12-7-5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyICQXXOGHIWHQAO-UHFFFAOYSA-N
XLogP1.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-prop-2-enoxypropanoate?
The IUPAC name of prop-2-enyl 2-prop-2-enoxypropanoate (CID 59069801) is prop-2-enyl 2-prop-2-enoxypropanoate.
What is the SMILES notation for prop-2-enyl 2-prop-2-enoxypropanoate?
The canonical SMILES for prop-2-enyl 2-prop-2-enoxypropanoate is C=CCOC(=O)C(C)OCC=C.
What is the InChIKey of prop-2-enyl 2-prop-2-enoxypropanoate?
The InChIKey is ICQXXOGHIWHQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-4-6-11-8(3)9(10)12-7-5-2/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of prop-2-enyl 2-prop-2-enoxypropanoate?
prop-2-enyl 2-prop-2-enoxypropanoate has a molecular weight of 170.21 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-prop-2-enoxypropanoate is sourced from PubChem (CID 59069801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).