11-(1,3-dioxolan-2-yl)undeca-4,8-dienal

C14H22O3 — CID 54528985

IUPAC11-(1,3-dioxolan-2-yl)undeca-4,8-dienal
SMILESO=CCCC=CCCC=CCCC1OCCO1
InChIInChI=1S/C14H22O3/c15-11-9-7-5-3-1-2-4-6-8-10-14-16-12-13-17-14/h3-6,11,14H,1-2,7-10,12-13H2
InChIKeyYVDDRUPCTMEUNF-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.01
Rot. Bonds9

About 11-(1,3-dioxolan-2-yl)undeca-4,8-dienal

11-(1,3-dioxolan-2-yl)undeca-4,8-dienal (PubChem CID 54528985) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 11-(1,3-dioxolan-2-yl)undeca-4,8-dienal.

Molecular Properties

Compound Name11-(1,3-dioxolan-2-yl)undeca-4,8-dienal
PubChem CID54528985
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name11-(1,3-dioxolan-2-yl)undeca-4,8-dienal
SMILESO=CCCC=CCCC=CCCC1OCCO1
InChIInChI=1S/C14H22O3/c15-11-9-7-5-3-1-2-4-6-8-10-14-16-12-13-17-14/h3-6,11,14H,1-2,7-10,12-13H2
InChIKeyYVDDRUPCTMEUNF-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.01
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-(1,3-dioxolan-2-yl)undeca-4,8-dienal?
The IUPAC name of 11-(1,3-dioxolan-2-yl)undeca-4,8-dienal (CID 54528985) is 11-(1,3-dioxolan-2-yl)undeca-4,8-dienal.
What is the SMILES notation for 11-(1,3-dioxolan-2-yl)undeca-4,8-dienal?
The canonical SMILES for 11-(1,3-dioxolan-2-yl)undeca-4,8-dienal is O=CCCC=CCCC=CCCC1OCCO1.
What is the InChIKey of 11-(1,3-dioxolan-2-yl)undeca-4,8-dienal?
The InChIKey is YVDDRUPCTMEUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c15-11-9-7-5-3-1-2-4-6-8-10-14-16-12-13-17-14/h3-6,11,14H,1-2,7-10,12-13H2.
What are the key properties of 11-(1,3-dioxolan-2-yl)undeca-4,8-dienal?
11-(1,3-dioxolan-2-yl)undeca-4,8-dienal has a molecular weight of 238.33 g/mol, XLogP of 3.01, 9 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)undeca-4,8-dienal is sourced from PubChem (CID 54528985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).