hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane)

C84H160 — CID 158135421

IUPAChexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane)
SMILESC.C.C.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C=Cc1ccc(CC)cc1.CC.CC.CC.CC.CC.CCCCCCC.CCCCCCCC.CCCCCCCC.CCCCCCCC
InChIInChI=1S/C10H12.3C8H18.C7H16.6C5H6.5C2H6.3CH4/c1-3-9-5-7-10(4-2)8-6-9;3*1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;6*1-2-4-5-3-1;5*1-2;;;/h3,5-8H,1,4H2,2H3;3*3-8H2,1-2H3;3-7H2,1-2H3;6*1-4H,5H2;5*1-2H3;3*1H4
InChIKeyFTHBRAODXQMCIR-UHFFFAOYSA-N
MW1170.20 g/mol
LogP32.02
Rot. Bonds21

About hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane)

hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane) (PubChem CID 158135421) has the molecular formula C84H160 and a molecular weight of 1170.20 g/mol. Its IUPAC name is hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane).

Molecular Properties

Compound Namehexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane)
PubChem CID158135421
Molecular FormulaC84H160
Molecular Weight1170.20 g/mol
Exact Mass1169.25
IUPAC Namehexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane)
SMILESC.C.C.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C=Cc1ccc(CC)cc1.CC.CC.CC.CC.CC.CCCCCCC.CCCCCCCC.CCCCCCCC.CCCCCCCC
InChIInChI=1S/C10H12.3C8H18.C7H16.6C5H6.5C2H6.3CH4/c1-3-9-5-7-10(4-2)8-6-9;3*1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;6*1-2-4-5-3-1;5*1-2;;;/h3,5-8H,1,4H2,2H3;3*3-8H2,1-2H3;3-7H2,1-2H3;6*1-4H,5H2;5*1-2H3;3*1H4
InChIKeyFTHBRAODXQMCIR-UHFFFAOYSA-N
XLogP32.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001170.20
LogP ≤ 532.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(but-1-ene);tridecakis(cyclopenta-1,3-diene);1,4-diethylbenzene;heptakis(1-ethenyl-4-ethylbenzene);methane;pentakis(octane);pentane
CID 157368608
bis(cyclopenta-1,3-diene);2,2-dimethylhexane;bis(1-ethenyl-4-ethylbenzene);methane
CID 161394922
tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene)
CID 162272940
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenoxypentane;1-ethenyl-4-ethylbenzene
CID 54369446
N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine
CID 14420661
N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine
CID 14420666
1,4-diethylbenzene;heptane
CID 175370860
1-ethenyl-4-ethylbenzene;pyrrolidine
CID 174791153
cyclopenta-1,3-diene;ethane;ethylbenzene
CID 90860127
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447

Frequently Asked Questions

What is the IUPAC name of hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane)?
The IUPAC name of hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane) (CID 158135421) is hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane).
What is the SMILES notation for hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane)?
The canonical SMILES for hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane) is C.C.C.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C=Cc1ccc(CC)cc1.CC.CC.CC.CC.CC.CCCCCCC.CCCCCCCC.CCCCCCCC.CCCCCCCC.
What is the InChIKey of hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane)?
The InChIKey is FTHBRAODXQMCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.3C8H18.C7H16.6C5H6.5C2H6.3CH4/c1-3-9-5-7-10(4-2)8-6-9;3*1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;6*1-2-4-5-3-1;5*1-2;;;/h3,5-8H,1,4H2,2H3;3*3-8H2,1-2H3;3-7H2,1-2H3;6*1-4H,5H2;5*1-2H3;3*1H4.
What are the key properties of hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane)?
hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane) has a molecular weight of 1170.20 g/mol, XLogP of 32.02, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane) is sourced from PubChem (CID 158135421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).