4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid

C11H20O4 — CID 114989135

IUPAC4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid
SMILESC=CCOC(C)(CC(C)(C)OC)C(=O)O
InChIInChI=1S/C11H20O4/c1-6-7-15-11(4,9(12)13)8-10(2,3)14-5/h6H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyBBJKZLDFANQKCM-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.85
Rot. Bonds7

About 4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid

4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid (PubChem CID 114989135) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid
PubChem CID114989135
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid
SMILESC=CCOC(C)(CC(C)(C)OC)C(=O)O
InChIInChI=1S/C11H20O4/c1-6-7-15-11(4,9(12)13)8-10(2,3)14-5/h6H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyBBJKZLDFANQKCM-UHFFFAOYSA-N
XLogP1.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.85
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 4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid?
The IUPAC name of 4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid (CID 114989135) is 4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid.
What is the SMILES notation for 4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid?
The canonical SMILES for 4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid is C=CCOC(C)(CC(C)(C)OC)C(=O)O.
What is the InChIKey of 4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid?
The InChIKey is BBJKZLDFANQKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-6-7-15-11(4,9(12)13)8-10(2,3)14-5/h6H,1,7-8H2,2-5H3,(H,12,13).
What are the key properties of 4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid?
4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid is sourced from PubChem (CID 114989135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).