pentadeca-6,8,10,12-tetraenal

C15H22O — CID 78382191

IUPACpentadeca-6,8,10,12-tetraenal
SMILESCCC=CC=CC=CC=CCCCCC=O
InChIInChI=1S/C15H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h3-10,15H,2,11-14H2,1H3
InChIKeyZSDGTOPNWLXOHV-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.38
Rot. Bonds9

About pentadeca-6,8,10,12-tetraenal

pentadeca-6,8,10,12-tetraenal (PubChem CID 78382191) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is pentadeca-6,8,10,12-tetraenal.

Molecular Properties

Compound Namepentadeca-6,8,10,12-tetraenal
PubChem CID78382191
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Namepentadeca-6,8,10,12-tetraenal
SMILESCCC=CC=CC=CC=CCCCCC=O
InChIInChI=1S/C15H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h3-10,15H,2,11-14H2,1H3
InChIKeyZSDGTOPNWLXOHV-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.38
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(7E,9E)-dodeca-7,9-dienal
CID 5368951
(11E)-hexadeca-11,13-dienal
CID 173074730
(9Z,11E)-tetradeca-9,11-dienal
CID 10750891
(7E,11Z,13Z)-hexadeca-7,11,13-trienal
CID 87161506
(9Z,11E)-hexadeca-9,11-dienal
CID 11172431
(10E,12Z)-hexadeca-10,12-dienal
CID 10922550
pentadeca-3,5,7,9-tetraene
CID 151958393
(E)-heptadec-14-enal
CID 5367667
triaconta-9,17,19-trienedial
CID 54176799
(2Z,4E)-octadeca-2,4,6,15-tetraenal
CID 175749162
pentadeca-3,5,7,12-tetraene
CID 142697862
pentanal;pent-2-enal
CID 159280720

Frequently Asked Questions

What is the IUPAC name of pentadeca-6,8,10,12-tetraenal?
The IUPAC name of pentadeca-6,8,10,12-tetraenal (CID 78382191) is pentadeca-6,8,10,12-tetraenal.
What is the SMILES notation for pentadeca-6,8,10,12-tetraenal?
The canonical SMILES for pentadeca-6,8,10,12-tetraenal is CCC=CC=CC=CC=CCCCCC=O.
What is the InChIKey of pentadeca-6,8,10,12-tetraenal?
The InChIKey is ZSDGTOPNWLXOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h3-10,15H,2,11-14H2,1H3.
What are the key properties of pentadeca-6,8,10,12-tetraenal?
pentadeca-6,8,10,12-tetraenal has a molecular weight of 218.34 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-6,8,10,12-tetraenal is sourced from PubChem (CID 78382191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).