hexadeca-7,11-dienal

C16H28O — CID 543335

IUPAChexadeca-7,11-dienal
SMILESCCCCC=CCCC=CCCCCCC=O
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3
InChIKeyPNIJIQLUXSITRW-UHFFFAOYSA-N
MW236.40 g/mol
LogP5.22
Rot. Bonds12

About hexadeca-7,11-dienal

hexadeca-7,11-dienal (PubChem CID 543335) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is hexadeca-7,11-dienal.

Molecular Properties

Compound Namehexadeca-7,11-dienal
PubChem CID543335
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Namehexadeca-7,11-dienal
SMILESCCCCC=CCCC=CCCCCCC=O
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3
InChIKeyPNIJIQLUXSITRW-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.22
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

(E)-octadec-13-enal
CID 5367670
(E)-tetradec-7-enal
CID 5283367
tetracos-11-enal
CID 173212441
(E)-hexacos-17-enal
CID 20847611
(Z)-tetradec-8-enal
CID 6430188
(E)-heptadec-6-enal
CID 122214705
(E)-octacos-19-enal
CID 25245229
(E)-octadec-8-enal
CID 5365013
(Z)-pentadec-6-enal
CID 10489351
heptadeca-9,12-dienal
CID 76609850
(6E,12E)-octadeca-6,12-dienal
CID 10220937
(9Z,11E)-hexadeca-9,11-dienal
CID 11172431

Frequently Asked Questions

What is the IUPAC name of hexadeca-7,11-dienal?
The IUPAC name of hexadeca-7,11-dienal (CID 543335) is hexadeca-7,11-dienal.
What is the SMILES notation for hexadeca-7,11-dienal?
The canonical SMILES for hexadeca-7,11-dienal is CCCCC=CCCC=CCCCCCC=O.
What is the InChIKey of hexadeca-7,11-dienal?
The InChIKey is PNIJIQLUXSITRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3.
What are the key properties of hexadeca-7,11-dienal?
hexadeca-7,11-dienal has a molecular weight of 236.40 g/mol, XLogP of 5.22, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-7,11-dienal is sourced from PubChem (CID 543335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).