hexa-1,2,3,4-tetraene

C6H6 — CID 11815814

IUPAChexa-1,2,3,4-tetraene
SMILESC=C=C=C=CC
InChIInChI=1S/C6H6/c1-3-5-6-4-2/h4H,1H2,2H3
InChIKeyJNUKOTUICJZAIB-UHFFFAOYSA-N
MW78.11 g/mol
LogP1.66
Rot. Bonds

About hexa-1,2,3,4-tetraene

hexa-1,2,3,4-tetraene (PubChem CID 11815814) has the molecular formula C6H6 and a molecular weight of 78.11 g/mol. Its IUPAC name is hexa-1,2,3,4-tetraene.

Molecular Properties

Compound Namehexa-1,2,3,4-tetraene
PubChem CID11815814
Molecular FormulaC6H6
Molecular Weight78.11 g/mol
Exact Mass78.05
IUPAC Namehexa-1,2,3,4-tetraene
SMILESC=C=C=C=CC
InChIInChI=1S/C6H6/c1-3-5-6-4-2/h4H,1H2,2H3
InChIKeyJNUKOTUICJZAIB-UHFFFAOYSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

penta-1,2,3,4-tetraene;prop-1-ene
CID 91432943
dodeca-1,2,3,4,5,6,7,8,9,10-decaene
CID 21360440
buta-1,2-diene;ethane
CID 143712294
hexa-2,3,4,5-tetraenoic acid
CID 137332363
pentacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149-nonatetracontahectaene
CID 23559593
icosahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119-nonadecahectaene
CID 59096229
octahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-heptahexacontaene
CID 59416775
buta-1,2-diene;molecular nitrogen
CID 141198155
1-fluorohexa-1,2,3,4,5-pentaene
CID 71426861
7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene
CID 122436055
hepta-1,2,3,5-tetraene
CID 91025831
penta-1,2,3-trien-1-amine
CID 162683172

Frequently Asked Questions

What is the IUPAC name of hexa-1,2,3,4-tetraene?
The IUPAC name of hexa-1,2,3,4-tetraene (CID 11815814) is hexa-1,2,3,4-tetraene.
What is the SMILES notation for hexa-1,2,3,4-tetraene?
The canonical SMILES for hexa-1,2,3,4-tetraene is C=C=C=C=CC.
What is the InChIKey of hexa-1,2,3,4-tetraene?
The InChIKey is JNUKOTUICJZAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6/c1-3-5-6-4-2/h4H,1H2,2H3.
What are the key properties of hexa-1,2,3,4-tetraene?
hexa-1,2,3,4-tetraene has a molecular weight of 78.11 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,2,3,4-tetraene is sourced from PubChem (CID 11815814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).