dodeca-1,4,10-triene

C12H20 — CID 174048310

IUPACdodeca-1,4,10-triene
SMILESC=CCC=CCCCCC=CC
InChIInChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,6-7,9H,1,5,8,10-12H2,2H3
InChIKeyVDTWUKZFCQICBR-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds7

About dodeca-1,4,10-triene

dodeca-1,4,10-triene (PubChem CID 174048310) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is dodeca-1,4,10-triene.

Molecular Properties

Compound Namedodeca-1,4,10-triene
PubChem CID174048310
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Namedodeca-1,4,10-triene
SMILESC=CCC=CCCCCC=CC
InChIInChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,6-7,9H,1,5,8,10-12H2,2H3
InChIKeyVDTWUKZFCQICBR-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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

trideca-1,4,11-triene
CID 172759150
pentadeca-1,4,9-triene
CID 174048539
(4Z)-dodeca-1,4-diene
CID 12525542
hentriaconta-2,10,29-triene
CID 150025785
icosa-2,10,18-triene
CID 74063823
hexa-1,4-diene
CID 163631115
pentadeca-1,4,8-triene
CID 174048494
hexadeca-1,4,8-triene
CID 174048525
hexa-1,4-diene;hydrate
CID 162019515
tetradeca-1,3,9,12-tetraene
CID 174407710
bis(dodeca-2,10-diene);methane
CID 159815244
trideca-9,12-dienoic acid
CID 140680246

Frequently Asked Questions

What is the IUPAC name of dodeca-1,4,10-triene?
The IUPAC name of dodeca-1,4,10-triene (CID 174048310) is dodeca-1,4,10-triene.
What is the SMILES notation for dodeca-1,4,10-triene?
The canonical SMILES for dodeca-1,4,10-triene is C=CCC=CCCCCC=CC.
What is the InChIKey of dodeca-1,4,10-triene?
The InChIKey is VDTWUKZFCQICBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,6-7,9H,1,5,8,10-12H2,2H3.
What are the key properties of dodeca-1,4,10-triene?
dodeca-1,4,10-triene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-1,4,10-triene is sourced from PubChem (CID 174048310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).