tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene)

C61H82 — CID 162272940

IUPACtris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene)
SMILESC/C=C\CC.C/C=C\CC.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C=Cc1ccc(CC)cc1.C=Cc1ccc(CC)cc1.CCc1ccccc1.CCc1ccccc1
InChIInChI=1S/2C10H12.2C8H10.3C5H6.2C5H10/c2*1-3-9-5-7-10(4-2)8-6-9;2*1-2-8-6-4-3-5-7-8;3*1-2-4-5-3-1;2*1-3-5-4-2/h2*3,5-8H,1,4H2,2H3;2*3-7H,2H2,1H3;3*1-4H,5H2;2*3,5H,4H2,1-2H3/b;;;;;;;2*5-3-
InChIKeyYVLPHTKGOMTRET-AXXIWQCBSA-N
MW815.33 g/mol
LogP18.73
Rot. Bonds8

About tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene)

tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene) (PubChem CID 162272940) has the molecular formula C61H82 and a molecular weight of 815.33 g/mol. Its IUPAC name is tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene).

Molecular Properties

Compound Nametris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene)
PubChem CID162272940
Molecular FormulaC61H82
Molecular Weight815.33 g/mol
Exact Mass814.64
IUPAC Nametris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene)
SMILESC/C=C\CC.C/C=C\CC.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C=Cc1ccc(CC)cc1.C=Cc1ccc(CC)cc1.CCc1ccccc1.CCc1ccccc1
InChIInChI=1S/2C10H12.2C8H10.3C5H6.2C5H10/c2*1-3-9-5-7-10(4-2)8-6-9;2*1-2-8-6-4-3-5-7-8;3*1-2-4-5-3-1;2*1-3-5-4-2/h2*3,5-8H,1,4H2,2H3;2*3-7H,2H2,1H3;3*1-4H,5H2;2*3,5H,4H2,1-2H3/b;;;;;;;2*5-3-
InChIKeyYVLPHTKGOMTRET-AXXIWQCBSA-N
XLogP18.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.33
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane)
CID 158135421
bis(but-1-ene);tridecakis(cyclopenta-1,3-diene);1,4-diethylbenzene;heptakis(1-ethenyl-4-ethylbenzene);methane;pentakis(octane);pentane
CID 157368608
cyclopenta-1,3-diene;ethane;ethylbenzene
CID 90860127
ethylbenzene;methane;styrene;hydrate
CID 169425917
bis(cyclopenta-1,3-diene);2,2-dimethylhexane;bis(1-ethenyl-4-ethylbenzene);methane
CID 161394922
1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene
CID 159036970
cyclopropene;styrene
CID 173351766
ethylbenzene;prop-2-enenitrile;styrene
CID 139367010
but-2-enylbenzene;ethylbenzene
CID 162289742
cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine
CID 157418692
1-ethenyl-4-ethylbenzene;pyrrolidine
CID 174791153
1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene
CID 137319863

Frequently Asked Questions

What is the IUPAC name of tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene)?
The IUPAC name of tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene) (CID 162272940) is tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene).
What is the SMILES notation for tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene)?
The canonical SMILES for tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene) is C/C=C\CC.C/C=C\CC.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C=Cc1ccc(CC)cc1.C=Cc1ccc(CC)cc1.CCc1ccccc1.CCc1ccccc1.
What is the InChIKey of tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene)?
The InChIKey is YVLPHTKGOMTRET-AXXIWQCBSA-N. The full InChI is InChI=1S/2C10H12.2C8H10.3C5H6.2C5H10/c2*1-3-9-5-7-10(4-2)8-6-9;2*1-2-8-6-4-3-5-7-8;3*1-2-4-5-3-1;2*1-3-5-4-2/h2*3,5-8H,1,4H2,2H3;2*3-7H,2H2,1H3;3*1-4H,5H2;2*3,5H,4H2,1-2H3/b;;;;;;;2*5-3-.
What are the key properties of tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene)?
tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene) has a molecular weight of 815.33 g/mol, XLogP of 18.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene) is sourced from PubChem (CID 162272940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).