prop-2-enyl 2-ethoxy-4-methylpentanoate

C11H20O3 — CID 174791279

IUPACprop-2-enyl 2-ethoxy-4-methylpentanoate
SMILESC=CCOC(=O)C(CC(C)C)OCC
InChIInChI=1S/C11H20O3/c1-5-7-14-11(12)10(13-6-2)8-9(3)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeySIKULVPASSLFFL-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.17
Rot. Bonds7

About prop-2-enyl 2-ethoxy-4-methylpentanoate

prop-2-enyl 2-ethoxy-4-methylpentanoate (PubChem CID 174791279) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is prop-2-enyl 2-ethoxy-4-methylpentanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-ethoxy-4-methylpentanoate
PubChem CID174791279
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameprop-2-enyl 2-ethoxy-4-methylpentanoate
SMILESC=CCOC(=O)C(CC(C)C)OCC
InChIInChI=1S/C11H20O3/c1-5-7-14-11(12)10(13-6-2)8-9(3)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeySIKULVPASSLFFL-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 prop-2-enyl 2-ethoxy-4-methylpentanoate?
The IUPAC name of prop-2-enyl 2-ethoxy-4-methylpentanoate (CID 174791279) is prop-2-enyl 2-ethoxy-4-methylpentanoate.
What is the SMILES notation for prop-2-enyl 2-ethoxy-4-methylpentanoate?
The canonical SMILES for prop-2-enyl 2-ethoxy-4-methylpentanoate is C=CCOC(=O)C(CC(C)C)OCC.
What is the InChIKey of prop-2-enyl 2-ethoxy-4-methylpentanoate?
The InChIKey is SIKULVPASSLFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-7-14-11(12)10(13-6-2)8-9(3)4/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of prop-2-enyl 2-ethoxy-4-methylpentanoate?
prop-2-enyl 2-ethoxy-4-methylpentanoate 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 prop-2-enyl 2-ethoxy-4-methylpentanoate is sourced from PubChem (CID 174791279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).