tetradeca-1,8-diene

C14H26 — CID 90913546

IUPACtetradeca-1,8-diene
SMILESC=CCCCCCC=CCCCCC
InChIInChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,12,14H,1,4-11,13H2,2H3
InChIKeyIKHCKTAXPNUJPQ-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.26
Rot. Bonds10

About tetradeca-1,8-diene

tetradeca-1,8-diene (PubChem CID 90913546) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is tetradeca-1,8-diene.

Molecular Properties

Compound Nametetradeca-1,8-diene
PubChem CID90913546
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Nametetradeca-1,8-diene
SMILESC=CCCCCCC=CCCCCC
InChIInChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,12,14H,1,4-11,13H2,2H3
InChIKeyIKHCKTAXPNUJPQ-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
heptadeca-1,7-diene
CID 57204265
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
(18Z)-heptacosa-1,18-diene
CID 14841085
(7E)-heptadeca-1,7-diene
CID 19050683
hexadec-6-ene;hex-1-ene
CID 158850904
tricosa-1,6-diene
CID 175196703
nonacosa-1,7,9,21-tetraene
CID 175853197

Frequently Asked Questions

What is the IUPAC name of tetradeca-1,8-diene?
The IUPAC name of tetradeca-1,8-diene (CID 90913546) is tetradeca-1,8-diene.
What is the SMILES notation for tetradeca-1,8-diene?
The canonical SMILES for tetradeca-1,8-diene is C=CCCCCCC=CCCCCC.
What is the InChIKey of tetradeca-1,8-diene?
The InChIKey is IKHCKTAXPNUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,12,14H,1,4-11,13H2,2H3.
What are the key properties of tetradeca-1,8-diene?
tetradeca-1,8-diene has a molecular weight of 194.36 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-1,8-diene is sourced from PubChem (CID 90913546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).