bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene

C37H64 — CID 158097418

IUPACbis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene
SMILESCC.CC.CC.CC.CC1=C(C)CC=C1.CC1=C(C)CC=C1.CC1=CCC=C1C.Cc1ccccc1C
InChIInChI=1S/C8H10.3C7H10.4C2H6/c1-7-5-3-4-6-8(7)2;3*1-6-4-3-5-7(6)2;4*1-2/h3-6H,1-2H3;4-5H,3H2,1-2H3;2*3-4H,5H2,1-2H3;4*1-2H3
InChIKeyFOVLAFDHYGRDBG-UHFFFAOYSA-N
MW508.92 g/mol
LogP13.26
Rot. Bonds

About bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene

bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene (PubChem CID 158097418) has the molecular formula C37H64 and a molecular weight of 508.92 g/mol. Its IUPAC name is bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene.

Molecular Properties

Compound Namebis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene
PubChem CID158097418
Molecular FormulaC37H64
Molecular Weight508.92 g/mol
Exact Mass508.50
IUPAC Namebis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene
SMILESCC.CC.CC.CC.CC1=C(C)CC=C1.CC1=C(C)CC=C1.CC1=CCC=C1C.Cc1ccccc1C
InChIInChI=1S/C8H10.3C7H10.4C2H6/c1-7-5-3-4-6-8(7)2;3*1-6-4-3-5-7(6)2;4*1-2/h3-6H,1-2H3;4-5H,3H2,1-2H3;2*3-4H,5H2,1-2H3;4*1-2H3
InChIKeyFOVLAFDHYGRDBG-UHFFFAOYSA-N
XLogP13.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.92
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436
sodium;1,2-dimethylcyclopenta-1,3-diene;hydride
CID 173341560
azetidine;1,2-dimethylcyclopenta-1,3-diene
CID 174436418
ethane;methane;pentakis(1,2-xylene)
CID 158909718
ethane;1,2-xylene;dihydrochloride
CID 174677530
1,2-xylene
CID 173422016
3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 142835495
benzene;1,2-xylene
CID 161464493
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
1,2-xylene;trihydrochloride
CID 70594732
1,2-xylene;zirconium
CID 174354618

Frequently Asked Questions

What is the IUPAC name of bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene?
The IUPAC name of bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene (CID 158097418) is bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene.
What is the SMILES notation for bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene?
The canonical SMILES for bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene is CC.CC.CC.CC.CC1=C(C)CC=C1.CC1=C(C)CC=C1.CC1=CCC=C1C.Cc1ccccc1C.
What is the InChIKey of bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene?
The InChIKey is FOVLAFDHYGRDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.3C7H10.4C2H6/c1-7-5-3-4-6-8(7)2;3*1-6-4-3-5-7(6)2;4*1-2/h3-6H,1-2H3;4-5H,3H2,1-2H3;2*3-4H,5H2,1-2H3;4*1-2H3.
What are the key properties of bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene?
bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene has a molecular weight of 508.92 g/mol, XLogP of 13.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene is sourced from PubChem (CID 158097418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).