2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate

C11H16O4 — CID 20736050

IUPAC2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1OC(=O)CC1(C)C
InChIInChI=1S/C11H16O4/c1-4-9(12)14-6-5-8-11(2,3)7-10(13)15-8/h4,8H,1,5-7H2,2-3H3
InChIKeyBYCIOHOEEHDRQN-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds4

About 2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate

2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate (PubChem CID 20736050) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate
PubChem CID20736050
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1OC(=O)CC1(C)C
InChIInChI=1S/C11H16O4/c1-4-9(12)14-6-5-8-11(2,3)7-10(13)15-8/h4,8H,1,5-7H2,2-3H3
InChIKeyBYCIOHOEEHDRQN-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate (CID 20736050) is 2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate is C=CC(=O)OCCC1OC(=O)CC1(C)C.
What is the InChIKey of 2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate?
The InChIKey is BYCIOHOEEHDRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-9(12)14-6-5-8-11(2,3)7-10(13)15-8/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate?
2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate is sourced from PubChem (CID 20736050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).