dodeca-1,6,11-triene

C12H20 — CID 548864

IUPACdodeca-1,6,11-triene
SMILESC=CCCCC=CCCCC=C
InChIInChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyJBOHFWXWVFOWDW-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds8

About dodeca-1,6,11-triene

dodeca-1,6,11-triene (PubChem CID 548864) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is dodeca-1,6,11-triene.

Molecular Properties

Compound Namedodeca-1,6,11-triene
PubChem CID548864
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Namedodeca-1,6,11-triene
SMILESC=CCCCC=CCCCC=C
InChIInChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyJBOHFWXWVFOWDW-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
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

icosa-1,9,19-triene
CID 57001912
heptahexaconta-1,23,66-triene
CID 57275880
(Z)-dec-5-ene;hex-1-ene
CID 141304086
(6E,10Z)-hexadeca-1,6,10-triene
CID 5365621
(6E,13E)-heptadeca-1,6,13-triene
CID 122203788
16-chlorohexadeca-1,6-diene
CID 71382129
tricosa-1,6-diene
CID 175196703
12,12-dimethyltrideca-1,6,10-triene
CID 144926116
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
tetradeca-1,10-diene
CID 141056381
(11E)-pentadeca-1,11-diene
CID 15206768

Frequently Asked Questions

What is the IUPAC name of dodeca-1,6,11-triene?
The IUPAC name of dodeca-1,6,11-triene (CID 548864) is dodeca-1,6,11-triene.
What is the SMILES notation for dodeca-1,6,11-triene?
The canonical SMILES for dodeca-1,6,11-triene is C=CCCCC=CCCCC=C.
What is the InChIKey of dodeca-1,6,11-triene?
The InChIKey is JBOHFWXWVFOWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,11-12H,1-2,5-10H2.
What are the key properties of dodeca-1,6,11-triene?
dodeca-1,6,11-triene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-1,6,11-triene is sourced from PubChem (CID 548864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).