10-ethoxycarbonyloxydodec-11-enoic acid

C15H26O5 — CID 135040839

IUPAC10-ethoxycarbonyloxydodec-11-enoic acid
SMILESC=CC(CCCCCCCCC(=O)O)OC(=O)OCC
InChIInChI=1S/C15H26O5/c1-3-13(20-15(18)19-4-2)11-9-7-5-6-8-10-12-14(16)17/h3,13H,1,4-12H2,2H3,(H,16,17)
InChIKeyFYNTVBSPVRJREQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.92
Rot. Bonds12

About 10-ethoxycarbonyloxydodec-11-enoic acid

10-ethoxycarbonyloxydodec-11-enoic acid (PubChem CID 135040839) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 10-ethoxycarbonyloxydodec-11-enoic acid.

Molecular Properties

Compound Name10-ethoxycarbonyloxydodec-11-enoic acid
PubChem CID135040839
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name10-ethoxycarbonyloxydodec-11-enoic acid
SMILESC=CC(CCCCCCCCC(=O)O)OC(=O)OCC
InChIInChI=1S/C15H26O5/c1-3-13(20-15(18)19-4-2)11-9-7-5-6-8-10-12-14(16)17/h3,13H,1,4-12H2,2H3,(H,16,17)
InChIKeyFYNTVBSPVRJREQ-UHFFFAOYSA-N
XLogP3.92
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-ethoxycarbonyloxydodec-11-enoic acid?
The IUPAC name of 10-ethoxycarbonyloxydodec-11-enoic acid (CID 135040839) is 10-ethoxycarbonyloxydodec-11-enoic acid.
What is the SMILES notation for 10-ethoxycarbonyloxydodec-11-enoic acid?
The canonical SMILES for 10-ethoxycarbonyloxydodec-11-enoic acid is C=CC(CCCCCCCCC(=O)O)OC(=O)OCC.
What is the InChIKey of 10-ethoxycarbonyloxydodec-11-enoic acid?
The InChIKey is FYNTVBSPVRJREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-3-13(20-15(18)19-4-2)11-9-7-5-6-8-10-12-14(16)17/h3,13H,1,4-12H2,2H3,(H,16,17).
What are the key properties of 10-ethoxycarbonyloxydodec-11-enoic acid?
10-ethoxycarbonyloxydodec-11-enoic acid has a molecular weight of 286.37 g/mol, XLogP of 3.92, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethoxycarbonyloxydodec-11-enoic acid is sourced from PubChem (CID 135040839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).