dodeca-5,7-dienyl acetate

C14H24O2 — CID 538039

IUPACdodeca-5,7-dienyl acetate
SMILESCCCCC=CC=CCCCCOC(C)=O
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-9H,3-5,10-13H2,1-2H3
InChIKeyLILNZTGQAGPWKK-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds9

About dodeca-5,7-dienyl acetate

dodeca-5,7-dienyl acetate (PubChem CID 538039) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is dodeca-5,7-dienyl acetate.

Molecular Properties

Compound Namedodeca-5,7-dienyl acetate
PubChem CID538039
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namedodeca-5,7-dienyl acetate
SMILESCCCCC=CC=CCCCCOC(C)=O
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-9H,3-5,10-13H2,1-2H3
InChIKeyLILNZTGQAGPWKK-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dodeca-5,7-dienyl acetate?
The IUPAC name of dodeca-5,7-dienyl acetate (CID 538039) is dodeca-5,7-dienyl acetate.
What is the SMILES notation for dodeca-5,7-dienyl acetate?
The canonical SMILES for dodeca-5,7-dienyl acetate is CCCCC=CC=CCCCCOC(C)=O.
What is the InChIKey of dodeca-5,7-dienyl acetate?
The InChIKey is LILNZTGQAGPWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-9H,3-5,10-13H2,1-2H3.
What are the key properties of dodeca-5,7-dienyl acetate?
dodeca-5,7-dienyl acetate has a molecular weight of 224.34 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-5,7-dienyl acetate is sourced from PubChem (CID 538039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).