propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate

C11H18O3 — CID 11127238

IUPACpropan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate
SMILESC=CC(O)(CC(=C)C)C(=O)OC(C)C
InChIInChI=1S/C11H18O3/c1-6-11(13,7-8(2)3)10(12)14-9(4)5/h6,9,13H,1-2,7H2,3-5H3
InChIKeyHDGLJUDNCNMUEE-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.82
Rot. Bonds5

About propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate

propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate (PubChem CID 11127238) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate.

Molecular Properties

Compound Namepropan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate
PubChem CID11127238
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namepropan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate
SMILESC=CC(O)(CC(=C)C)C(=O)OC(C)C
InChIInChI=1S/C11H18O3/c1-6-11(13,7-8(2)3)10(12)14-9(4)5/h6,9,13H,1-2,7H2,3-5H3
InChIKeyHDGLJUDNCNMUEE-UHFFFAOYSA-N
XLogP1.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
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 propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate?
The IUPAC name of propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate (CID 11127238) is propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate.
What is the SMILES notation for propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate?
The canonical SMILES for propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate is C=CC(O)(CC(=C)C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate?
The InChIKey is HDGLJUDNCNMUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-6-11(13,7-8(2)3)10(12)14-9(4)5/h6,9,13H,1-2,7H2,3-5H3.
What are the key properties of propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate?
propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate has a molecular weight of 198.26 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate is sourced from PubChem (CID 11127238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).