2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid

C11H16O4 — CID 22104604

IUPAC2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid
SMILESC=C(C)C(=O)OCCCCC(=C)C(=O)O
InChIInChI=1S/C11H16O4/c1-8(2)11(14)15-7-5-4-6-9(3)10(12)13/h1,3-7H2,2H3,(H,12,13)
InChIKeyCENJHRUWMQHGPB-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.92
Rot. Bonds7

About 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid

2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid (PubChem CID 22104604) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid.

Molecular Properties

Compound Name2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid
PubChem CID22104604
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid
SMILESC=C(C)C(=O)OCCCCC(=C)C(=O)O
InChIInChI=1S/C11H16O4/c1-8(2)11(14)15-7-5-4-6-9(3)10(12)13/h1,3-7H2,2H3,(H,12,13)
InChIKeyCENJHRUWMQHGPB-UHFFFAOYSA-N
XLogP1.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid?
The IUPAC name of 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid (CID 22104604) is 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid.
What is the SMILES notation for 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid?
The canonical SMILES for 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid is C=C(C)C(=O)OCCCCC(=C)C(=O)O.
What is the InChIKey of 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid?
The InChIKey is CENJHRUWMQHGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-8(2)11(14)15-7-5-4-6-9(3)10(12)13/h1,3-7H2,2H3,(H,12,13).
What are the key properties of 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid?
2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid has a molecular weight of 212.24 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoic acid is sourced from PubChem (CID 22104604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).