2-prop-2-enoxypropyl 2-methylbutanoate

C11H20O3 — CID 58607652

IUPAC2-prop-2-enoxypropyl 2-methylbutanoate
SMILESC=CCOC(C)COC(=O)C(C)CC
InChIInChI=1S/C11H20O3/c1-5-7-13-10(4)8-14-11(12)9(3)6-2/h5,9-10H,1,6-8H2,2-4H3
InChIKeyIDBDPYBNRHYIMO-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.17
Rot. Bonds7

About 2-prop-2-enoxypropyl 2-methylbutanoate

2-prop-2-enoxypropyl 2-methylbutanoate (PubChem CID 58607652) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-prop-2-enoxypropyl 2-methylbutanoate.

Molecular Properties

Compound Name2-prop-2-enoxypropyl 2-methylbutanoate
PubChem CID58607652
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-prop-2-enoxypropyl 2-methylbutanoate
SMILESC=CCOC(C)COC(=O)C(C)CC
InChIInChI=1S/C11H20O3/c1-5-7-13-10(4)8-14-11(12)9(3)6-2/h5,9-10H,1,6-8H2,2-4H3
InChIKeyIDBDPYBNRHYIMO-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.17
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 2-prop-2-enoxypropyl 2-methylbutanoate?
The IUPAC name of 2-prop-2-enoxypropyl 2-methylbutanoate (CID 58607652) is 2-prop-2-enoxypropyl 2-methylbutanoate.
What is the SMILES notation for 2-prop-2-enoxypropyl 2-methylbutanoate?
The canonical SMILES for 2-prop-2-enoxypropyl 2-methylbutanoate is C=CCOC(C)COC(=O)C(C)CC.
What is the InChIKey of 2-prop-2-enoxypropyl 2-methylbutanoate?
The InChIKey is IDBDPYBNRHYIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-7-13-10(4)8-14-11(12)9(3)6-2/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 2-prop-2-enoxypropyl 2-methylbutanoate?
2-prop-2-enoxypropyl 2-methylbutanoate has a molecular weight of 200.28 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxypropyl 2-methylbutanoate is sourced from PubChem (CID 58607652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).