dodeca-2,4-dien-6,8,10-triyne

C12H10 — CID 163085735

IUPACdodeca-2,4-dien-6,8,10-triyne
SMILESCC#CC#CC#CC=CC=CC
InChIInChI=1S/C12H10/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7,9H,1-2H3
InChIKeyZKHQCSYGZNSXAT-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.15
Rot. Bonds1

About dodeca-2,4-dien-6,8,10-triyne

dodeca-2,4-dien-6,8,10-triyne (PubChem CID 163085735) has the molecular formula C12H10 and a molecular weight of 154.21 g/mol. Its IUPAC name is dodeca-2,4-dien-6,8,10-triyne.

Molecular Properties

Compound Namedodeca-2,4-dien-6,8,10-triyne
PubChem CID163085735
Molecular FormulaC12H10
Molecular Weight154.21 g/mol
Exact Mass154.08
IUPAC Namedodeca-2,4-dien-6,8,10-triyne
SMILESCC#CC#CC#CC=CC=CC
InChIInChI=1S/C12H10/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7,9H,1-2H3
InChIKeyZKHQCSYGZNSXAT-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 14194106
dodeca-2,4,10-trien-6,8-diynal
CID 85397218
icosa-2,4,6,8,10,12,14,16,18-nonayne
CID 22082360
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne
CID 21343619
(5E,7E)-nona-1,5,7-trien-3-yne
CID 641686
octaoctacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170,172,174,176,178,180,182,184,186-trinonacontayne
CID 123157218
but-2-yne;bis((E)-non-7-en-1,3,5-triyne)
CID 162254669
(4E)-hexa-2,4-diene
CID 22435466
undeca-1,2,3-trien-5,7,9-triyne
CID 59363816
[(3S,4Z,6Z)-3-acetyloxytetradeca-4,6-dien-8,10,12-triynyl] acetate
CID 162984103
(2E,4Z)-undeca-2,4-dien-6-yne
CID 102094475
ethyl (E)-dec-2-en-4,6,8-triynoate
CID 102149267

Frequently Asked Questions

What is the IUPAC name of dodeca-2,4-dien-6,8,10-triyne?
The IUPAC name of dodeca-2,4-dien-6,8,10-triyne (CID 163085735) is dodeca-2,4-dien-6,8,10-triyne.
What is the SMILES notation for dodeca-2,4-dien-6,8,10-triyne?
The canonical SMILES for dodeca-2,4-dien-6,8,10-triyne is CC#CC#CC#CC=CC=CC.
What is the InChIKey of dodeca-2,4-dien-6,8,10-triyne?
The InChIKey is ZKHQCSYGZNSXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7,9H,1-2H3.
What are the key properties of dodeca-2,4-dien-6,8,10-triyne?
dodeca-2,4-dien-6,8,10-triyne has a molecular weight of 154.21 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-2,4-dien-6,8,10-triyne is sourced from PubChem (CID 163085735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).