11-(2-methylprop-2-enoyloxy)undecanoic acid

C15H26O4 — CID 19348965

IUPAC11-(2-methylprop-2-enoyloxy)undecanoic acid
SMILESC=C(C)C(=O)OCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H26O4/c1-13(2)15(18)19-12-10-8-6-4-3-5-7-9-11-14(16)17/h1,3-12H2,2H3,(H,16,17)
InChIKeyLXSNYSIAVQLGQW-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.70
Rot. Bonds12

About 11-(2-methylprop-2-enoyloxy)undecanoic acid

11-(2-methylprop-2-enoyloxy)undecanoic acid (PubChem CID 19348965) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 11-(2-methylprop-2-enoyloxy)undecanoic acid.

Molecular Properties

Compound Name11-(2-methylprop-2-enoyloxy)undecanoic acid
PubChem CID19348965
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name11-(2-methylprop-2-enoyloxy)undecanoic acid
SMILESC=C(C)C(=O)OCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H26O4/c1-13(2)15(18)19-12-10-8-6-4-3-5-7-9-11-14(16)17/h1,3-12H2,2H3,(H,16,17)
InChIKeyLXSNYSIAVQLGQW-UHFFFAOYSA-N
XLogP3.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.70
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 11-(2-methylprop-2-enoyloxy)undecanoic acid?
The IUPAC name of 11-(2-methylprop-2-enoyloxy)undecanoic acid (CID 19348965) is 11-(2-methylprop-2-enoyloxy)undecanoic acid.
What is the SMILES notation for 11-(2-methylprop-2-enoyloxy)undecanoic acid?
The canonical SMILES for 11-(2-methylprop-2-enoyloxy)undecanoic acid is C=C(C)C(=O)OCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-(2-methylprop-2-enoyloxy)undecanoic acid?
The InChIKey is LXSNYSIAVQLGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-13(2)15(18)19-12-10-8-6-4-3-5-7-9-11-14(16)17/h1,3-12H2,2H3,(H,16,17).
What are the key properties of 11-(2-methylprop-2-enoyloxy)undecanoic acid?
11-(2-methylprop-2-enoyloxy)undecanoic acid has a molecular weight of 270.37 g/mol, XLogP of 3.70, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylprop-2-enoyloxy)undecanoic acid is sourced from PubChem (CID 19348965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).