(6E)-octadeca-4,6-diene

C18H34 — CID 173243345

IUPAC(6E)-octadeca-4,6-diene
SMILESCCCC=C/C=C/CCCCCCCCCCC
InChIInChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h7,9,11,13H,3-6,8,10,12,14-18H2,1-2H3/b9-7?,13-11+
InChIKeyLAXIZYWLCCUXCF-FURFBGFUSA-N
MW250.47 g/mol
LogP6.82
Rot. Bonds13

About (6E)-octadeca-4,6-diene

(6E)-octadeca-4,6-diene (PubChem CID 173243345) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is (6E)-octadeca-4,6-diene.

Molecular Properties

Compound Name(6E)-octadeca-4,6-diene
PubChem CID173243345
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name(6E)-octadeca-4,6-diene
SMILESCCCC=C/C=C/CCCCCCCCCCC
InChIInChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h7,9,11,13H,3-6,8,10,12,14-18H2,1-2H3/b9-7?,13-11+
InChIKeyLAXIZYWLCCUXCF-FURFBGFUSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(22E)-heptatetraconta-22,24-diene
CID 56629131
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(Z)-tridec-4-ene
CID 5362712
(Z)-tridec-6-ene;(Z)-undec-4-ene
CID 161365587
henicosa-4,14-diene
CID 91309991
(1E,3E)-1-chlorododeca-1,3-diene
CID 15469424
(3E)-1-chlorodeca-1,3-diene
CID 177456739
dodec-4-ene;hydrochloride
CID 175415968
pentadeca-4,8-diene
CID 90864504
dodec-2-enal;(E)-hex-2-enal
CID 159709120
(1E,3E)-1-chloronona-1,3-diene
CID 10964790

Frequently Asked Questions

What is the IUPAC name of (6E)-octadeca-4,6-diene?
The IUPAC name of (6E)-octadeca-4,6-diene (CID 173243345) is (6E)-octadeca-4,6-diene.
What is the SMILES notation for (6E)-octadeca-4,6-diene?
The canonical SMILES for (6E)-octadeca-4,6-diene is CCCC=C/C=C/CCCCCCCCCCC.
What is the InChIKey of (6E)-octadeca-4,6-diene?
The InChIKey is LAXIZYWLCCUXCF-FURFBGFUSA-N. The full InChI is InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h7,9,11,13H,3-6,8,10,12,14-18H2,1-2H3/b9-7?,13-11+.
What are the key properties of (6E)-octadeca-4,6-diene?
(6E)-octadeca-4,6-diene has a molecular weight of 250.47 g/mol, XLogP of 6.82, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-octadeca-4,6-diene is sourced from PubChem (CID 173243345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).