(2Z,4E)-octadeca-2,4,6,15-tetraenal

C18H28O — CID 175749162

IUPAC(2Z,4E)-octadeca-2,4,6,15-tetraenal
SMILESCCC=CCCCCCCCC=C/C=C/C=C\C=O
InChIInChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,12-18H,2,5-11H2,1H3/b4-3?,13-12?,15-14+,17-16-
InChIKeyJQKBNSKTBABRKA-FLYSANHNSA-N
MW260.42 g/mol
LogP5.55
Rot. Bonds12

About (2Z,4E)-octadeca-2,4,6,15-tetraenal

(2Z,4E)-octadeca-2,4,6,15-tetraenal (PubChem CID 175749162) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (2Z,4E)-octadeca-2,4,6,15-tetraenal.

Molecular Properties

Compound Name(2Z,4E)-octadeca-2,4,6,15-tetraenal
PubChem CID175749162
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(2Z,4E)-octadeca-2,4,6,15-tetraenal
SMILESCCC=CCCCCCCCC=C/C=C/C=C\C=O
InChIInChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,12-18H,2,5-11H2,1H3/b4-3?,13-12?,15-14+,17-16-
InChIKeyJQKBNSKTBABRKA-FLYSANHNSA-N
XLogP5.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.55
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,10Z)-trideca-2,10-dienal
CID 129221038
icosa-2,4,6-trienal
CID 54359003
(2Z,4E)-heptadeca-2,4-dienal
CID 167495571
(2E,4E)-dodeca-2,4-dienal
CID 5367530
(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal
CID 10081647
(2Z)-deca-2,4-dienal
CID 87792972
(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal
CID 56643590
pentadeca-3,5,7,12-tetraene
CID 142697862
(2E)-nona-2,6-dienal
CID 6992048
(7E,11Z,13Z)-hexadeca-7,11,13-trienal
CID 87161506
(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
(3E,16E)-nonadeca-3,16-diene
CID 157471321

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-octadeca-2,4,6,15-tetraenal?
The IUPAC name of (2Z,4E)-octadeca-2,4,6,15-tetraenal (CID 175749162) is (2Z,4E)-octadeca-2,4,6,15-tetraenal.
What is the SMILES notation for (2Z,4E)-octadeca-2,4,6,15-tetraenal?
The canonical SMILES for (2Z,4E)-octadeca-2,4,6,15-tetraenal is CCC=CCCCCCCCC=C/C=C/C=C\C=O.
What is the InChIKey of (2Z,4E)-octadeca-2,4,6,15-tetraenal?
The InChIKey is JQKBNSKTBABRKA-FLYSANHNSA-N. The full InChI is InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,12-18H,2,5-11H2,1H3/b4-3?,13-12?,15-14+,17-16-.
What are the key properties of (2Z,4E)-octadeca-2,4,6,15-tetraenal?
(2Z,4E)-octadeca-2,4,6,15-tetraenal has a molecular weight of 260.42 g/mol, XLogP of 5.55, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-octadeca-2,4,6,15-tetraenal is sourced from PubChem (CID 175749162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).