ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate

C20H38O4 — CID 135019347

IUPACethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate
SMILESCCCCCCCCCCCCCC1(CC(=O)OCC)OCCO1
InChIInChI=1S/C20H38O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-20(23-16-17-24-20)18-19(21)22-4-2/h3-18H2,1-2H3
InChIKeyAEMFAOLKXOJWLP-UHFFFAOYSA-N
MW342.52 g/mol
LogP5.38
Rot. Bonds15

About ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate

ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate (PubChem CID 135019347) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate
PubChem CID135019347
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Nameethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate
SMILESCCCCCCCCCCCCCC1(CC(=O)OCC)OCCO1
InChIInChI=1S/C20H38O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-20(23-16-17-24-20)18-19(21)22-4-2/h3-18H2,1-2H3
InChIKeyAEMFAOLKXOJWLP-UHFFFAOYSA-N
XLogP5.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate?
The IUPAC name of ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate (CID 135019347) is ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate is CCCCCCCCCCCCCC1(CC(=O)OCC)OCCO1.
What is the InChIKey of ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate?
The InChIKey is AEMFAOLKXOJWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-20(23-16-17-24-20)18-19(21)22-4-2/h3-18H2,1-2H3.
What are the key properties of ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate?
ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate has a molecular weight of 342.52 g/mol, XLogP of 5.38, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate is sourced from PubChem (CID 135019347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).