11-(1,3-dioxolan-2-yl)undecanal

C14H26O3 — CID 54567157

IUPAC11-(1,3-dioxolan-2-yl)undecanal
SMILESO=CCCCCCCCCCCC1OCCO1
InChIInChI=1S/C14H26O3/c15-11-9-7-5-3-1-2-4-6-8-10-14-16-12-13-17-14/h11,14H,1-10,12-13H2
InChIKeyZUQTUFPICADVDX-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.46
Rot. Bonds11

About 11-(1,3-dioxolan-2-yl)undecanal

11-(1,3-dioxolan-2-yl)undecanal (PubChem CID 54567157) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 11-(1,3-dioxolan-2-yl)undecanal.

Molecular Properties

Compound Name11-(1,3-dioxolan-2-yl)undecanal
PubChem CID54567157
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name11-(1,3-dioxolan-2-yl)undecanal
SMILESO=CCCCCCCCCCCC1OCCO1
InChIInChI=1S/C14H26O3/c15-11-9-7-5-3-1-2-4-6-8-10-14-16-12-13-17-14/h11,14H,1-10,12-13H2
InChIKeyZUQTUFPICADVDX-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(1,3-dioxolan-2-yl)undecanal?
The IUPAC name of 11-(1,3-dioxolan-2-yl)undecanal (CID 54567157) is 11-(1,3-dioxolan-2-yl)undecanal.
What is the SMILES notation for 11-(1,3-dioxolan-2-yl)undecanal?
The canonical SMILES for 11-(1,3-dioxolan-2-yl)undecanal is O=CCCCCCCCCCCC1OCCO1.
What is the InChIKey of 11-(1,3-dioxolan-2-yl)undecanal?
The InChIKey is ZUQTUFPICADVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c15-11-9-7-5-3-1-2-4-6-8-10-14-16-12-13-17-14/h11,14H,1-10,12-13H2.
What are the key properties of 11-(1,3-dioxolan-2-yl)undecanal?
11-(1,3-dioxolan-2-yl)undecanal has a molecular weight of 242.36 g/mol, XLogP of 3.46, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,3-dioxolan-2-yl)undecanal is sourced from PubChem (CID 54567157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).