heptadeca-12,16-dienal

C17H30O — CID 141026254

IUPACheptadeca-12,16-dienal
SMILESC=CCCC=CCCCCCCCCCCC=O
InChIInChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2,5-6,17H,1,3-4,7-16H2
InChIKeyOGZDECYUUNUGFM-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.61
Rot. Bonds14

About heptadeca-12,16-dienal

heptadeca-12,16-dienal (PubChem CID 141026254) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is heptadeca-12,16-dienal.

Molecular Properties

Compound Nameheptadeca-12,16-dienal
PubChem CID141026254
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Nameheptadeca-12,16-dienal
SMILESC=CCCC=CCCCCCCCCCCC=O
InChIInChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2,5-6,17H,1,3-4,7-16H2
InChIKeyOGZDECYUUNUGFM-UHFFFAOYSA-N
XLogP5.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

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triaconta-9,17,19-trienedial
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dodeca-9,11-dienal
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hexadeca-1,5,13-triene
CID 174048718
hexadeca-7,11-dienal
CID 543335
pent-4-enal
CID 16418
pentadecanedial
CID 22887412
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CID 5362636
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Frequently Asked Questions

What is the IUPAC name of heptadeca-12,16-dienal?
The IUPAC name of heptadeca-12,16-dienal (CID 141026254) is heptadeca-12,16-dienal.
What is the SMILES notation for heptadeca-12,16-dienal?
The canonical SMILES for heptadeca-12,16-dienal is C=CCCC=CCCCCCCCCCCC=O.
What is the InChIKey of heptadeca-12,16-dienal?
The InChIKey is OGZDECYUUNUGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2,5-6,17H,1,3-4,7-16H2.
What are the key properties of heptadeca-12,16-dienal?
heptadeca-12,16-dienal has a molecular weight of 250.43 g/mol, XLogP of 5.61, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-12,16-dienal is sourced from PubChem (CID 141026254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).