(3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene

C18H26 — CID 102331083

IUPAC(3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene
SMILESC=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC
InChIInChI=1S/C18H26/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,5-8,11-14,17-18H,1,4,9-10,15-16H2,2H3/b7-5+,8-6+,13-11+,14-12+,18-17+
InChIKeyUVKGNVPMDOXABD-UJHOJOOWSA-N
MW242.41 g/mol
LogP5.92
Rot. Bonds10

About (3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene

(3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene (PubChem CID 102331083) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is (3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene.

Molecular Properties

Compound Name(3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene
PubChem CID102331083
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name(3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene
SMILESC=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC
InChIInChI=1S/C18H26/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,5-8,11-14,17-18H,1,4,9-10,15-16H2,2H3/b7-5+,8-6+,13-11+,14-12+,18-17+
InChIKeyUVKGNVPMDOXABD-UJHOJOOWSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;(3E)-hexa-1,3-diene
CID 173449950
cobalt;hexa-1,3-diene
CID 174676950
pentadeca-3,6,9,12-tetraene
CID 123748490
benzene;ethane;(3Z)-hexa-1,3-diene
CID 145406592
azanium;hexa-1,3-diene;chloride
CID 161298695
(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenal
CID 10987375
ethane-1,2-diol;(3E)-hexa-1,3-diene
CID 87937572
(2Z,4Z,7E)-deca-2,4,7-triene
CID 142167538
(2E)-octa-2,5-dienal
CID 152586701
pentadeca-1,3,12-triene
CID 174048351
heptadeca-1,3,14-triene
CID 54251685
(3E,6E,10E)-dodeca-1,3,6,10-tetraene
CID 22236753

Frequently Asked Questions

What is the IUPAC name of (3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene?
The IUPAC name of (3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene (CID 102331083) is (3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene.
What is the SMILES notation for (3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene?
The canonical SMILES for (3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene is C=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC.
What is the InChIKey of (3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene?
The InChIKey is UVKGNVPMDOXABD-UJHOJOOWSA-N. The full InChI is InChI=1S/C18H26/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,5-8,11-14,17-18H,1,4,9-10,15-16H2,2H3/b7-5+,8-6+,13-11+,14-12+,18-17+.
What are the key properties of (3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene?
(3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene has a molecular weight of 242.41 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene is sourced from PubChem (CID 102331083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).